UCSF

ZINC08336918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 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) 3.50 10.05 -12 1 4 0 59 347.414 4
Mid Mid (pH 6-8) 4.09 10.12 -44.55 1 4 -1 65 346.406 4

Activity (Go SEA)

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