UCSF

ZINC19800830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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 3.98 -52.92 6 10 0 169 457.483 3
Hi High (pH 8-9.5) -0.23 6.1 -173.16 4 10 -2 174 455.467 3
Mid Mid (pH 6-8) 0.22 5.05 -88.58 5 10 -1 171 456.475 3
Mid Mid (pH 6-8) -0.96 1.61 -19.13 6 10 0 165 457.483 2
Mid Mid (pH 6-8) -0.23 2.35 -53.31 5 10 -1 167 456.475 3
Lo Low (pH 4.5-6) -0.96 3.21 -49.98 7 10 1 166 458.491 2

Activity (Go SEA)

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