UCSF

ZINC36372473

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 33 No

Popular Name: LS-187187 LS-187187

Find On: PubMed — Wikipedia — Google

CAS Number: 13614-98-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.23 3.05 -52.01 6 10 0 169 457.483 3 ↓
Hi High (pH 8-9.5) -0.23 5 -176.95 4 10 -2 174 455.467 3 ↓
Hi High (pH 8-9.5) -0.23 2.44 -134.07 4 10 -2 170 455.467 3 ↓
Mid Mid (pH 6-8) -0.96 2.29 -16.12 6 10 0 165 457.483 2 ↓
Mid Mid (pH 6-8) -0.23 4.45 -124.88 5 10 -1 171 456.475 3 ↓
Mid Mid (pH 6-8) -0.96 2.21 -41.05 6 10 0 169 457.483 2 ↓
Mid Mid (pH 6-8) -0.23 0.68 -49.25 5 10 -1 167 456.475 3 ↓
Mid Mid (pH 6-8) -0.81 5.49 -95.89 4 10 -1 168 456.475 3 ↓
Mid Mid (pH 6-8) -0.81 4.75 -51.61 5 10 0 165 457.483 3 ↓
Mid Mid (pH 6-8) -0.96 2 -16.25 6 10 0 165 457.483 2 ↓
Lo Low (pH 4.5-6) -0.96 1.31 -42.06 7 10 1 166 458.491 2 ↓
Lo Low (pH 4.5-6) -0.96 1.54 -39.62 7 10 1 166 458.491 2 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )