UCSF

ZINC44415292

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) 0.89 2.71 -24.63 2 4 1 43 232.344 7
Hi High (pH 8-9.5) 0.89 2.84 -2.01 1 4 0 42 231.336 7

Activity (Go SEA)

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