UCSF

ZINC39310910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 8 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) -0.84 -5.01 -37.72 5 3 1 68 120.172 3
Hi High (pH 8-9.5) -0.84 -5.33 -5.01 4 3 0 66 119.164 3

Activity (Go SEA)

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