UCSF

ZINC05939870

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 23 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) 3.83 8.62 -45.73 2 3 1 38 307.417 3
Lo Low (pH 4.5-6) 3.83 8.89 -85.85 3 3 2 39 308.425 3

Activity (Go SEA)

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