UCSF

ZINC42472814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 Yes

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) 1.68 6.21 -120.17 4 2 2 32 212.381 4
Mid Mid (pH 6-8) 1.68 4.4 -40.79 3 2 1 31 211.373 4
Mid Mid (pH 6-8) 1.68 5.83 -29.29 3 2 1 30 211.373 4

Activity (Go SEA)

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