UCSF

ZINC07878200

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2006 14 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) 0.90 3.24 -37.49 3 3 1 48 211.31 2
Mid Mid (pH 6-8) 0.90 1.21 -9.18 2 3 0 46 210.302 2

Activity (Go SEA)

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