UCSF

ZINC37094627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 5.97 5.52 -47.6 3 2 1 31 307.405 8
Mid Mid (pH 6-8) 5.97 7.57 -131.6 4 2 2 32 308.413 8

Activity (Go SEA)

Rings

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