UCSF

ZINC45703282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 0.30 3.7 -46.99 3 5 1 72 229.3 6
Mid Mid (pH 6-8) 0.30 3.44 -10.45 2 5 0 67 228.292 6

Activity (Go SEA)

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