UCSF

ZINC00859093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 20 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) 5.02 10.11 -7.64 1 2 0 29 271.404 3
Lo Low (pH 4.5-6) 5.20 9.1 -34.27 2 2 1 34 272.412 3

Activity (Go SEA)

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