UCSF

ZINC33492081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 31 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) 3.61 9.85 -52.2 2 6 0 85 442.943 9
Lo Low (pH 4.5-6) 3.61 8.72 -51.64 3 6 1 82 443.951 9

Activity (Go SEA)

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