UCSF

ZINC33780572

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 38 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) 4.32 10.85 -44.61 0 8 -1 97 516.57 11
Lo Low (pH 4.5-6) 4.32 9.72 -19.05 1 8 0 95 517.578 11

Activity (Go SEA)

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