UCSF

ZINC34830022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 3.35 12.66 -60.87 1 7 1 64 504.632 5
Mid Mid (pH 6-8) 3.35 10.89 -20.08 0 7 0 62 503.624 5

Activity (Go SEA)

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