UCSF

ZINC31891114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 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) 2.32 7.18 -30.9 4 3 1 56 188.254 2
Hi High (pH 8-9.5) 2.32 6.68 -6.73 3 3 0 55 187.246 2
Hi High (pH 8-9.5) 2.32 6.73 -8.75 3 3 0 55 187.246 2

Activity (Go SEA)

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