UCSF

ZINC72474149

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2012 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) 3.53 10.58 -40.54 1 5 1 41 352.458 8
Mid Mid (pH 6-8) 3.53 9.85 -9.05 0 5 0 40 351.45 8

Activity (Go SEA)

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