UCSF

ZINC08896812

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 34 No

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) 5.85 13.89 -46.27 0 5 -1 73 475.496 5
Mid Mid (pH 6-8) 6.30 12.09 -26.52 1 5 0 71 476.504 4
Mid Mid (pH 6-8) 5.27 13.08 -15.76 0 5 0 67 476.504 5

Activity (Go SEA)

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