UCSF

ZINC45664827

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 3.11 4.96 -44.69 3 3 1 40 257.442 7
Lo Low (pH 4.5-6) 3.11 6.94 -121.37 4 3 2 41 258.45 7

Activity (Go SEA)

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