UCSF

ZINC09350344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 26 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) 3.90 10.04 -13.21 0 6 0 63 428.008 8
Mid Mid (pH 6-8) 3.90 -0.49 -38.89 1 6 1 64 429.016 8

Activity (Go SEA)

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