UCSF

ZINC40166126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 12 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) 0.62 5.53 -44.56 0 3 -1 53 180.208 3
Lo Low (pH 4.5-6) 0.62 5.48 -46.7 1 3 0 54 181.216 3

Activity (Go SEA)

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