UCSF

ZINC06309324

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 16 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) 1.65 4.52 -10.79 1 4 0 55 233.296 3
Lo Low (pH 4.5-6) 1.65 4.81 -40.54 2 4 1 56 234.304 3

Activity (Go SEA)

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