UCSF

ZINC16186307

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 33 No

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 5.36 -58.4 6 10 0 169 457.483 3
Ref Reference (pH 7) -0.96 1.38 -18.28 6 10 0 165 457.483 2
Hi High (pH 8-9.5) -0.23 3.01 -137.86 4 10 -2 170 455.467 3
Mid Mid (pH 6-8) -0.23 4.46 -116.83 5 10 -1 171 456.475 3
Mid Mid (pH 6-8) -0.96 0.91 -18.5 6 10 0 165 457.483 2
Mid Mid (pH 6-8) -0.23 2.24 -53.91 5 10 -1 167 456.475 3
Lo Low (pH 4.5-6) -0.96 2.44 -51.71 7 10 1 166 458.491 2
Lo Low (pH 4.5-6) -0.96 2.9 -49.24 7 10 1 166 458.491 2

Activity (Go SEA)

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