UCSF

ZINC33873457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.06 10.9 -12.87 2 4 0 58 383.495 7
Lo Low (pH 4.5-6) 4.06 11.37 -44.27 3 4 1 59 384.503 7

Activity (Go SEA)

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