UCSF

ZINC42433528

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) 0.56 2.67 -105.46 4 3 2 41 188.315 5
Hi High (pH 8-9.5) 0.56 1.47 -29.74 3 3 1 37 187.307 5
Mid Mid (pH 6-8) 0.56 0.54 -35.97 3 3 1 40 187.307 5

Activity (Go SEA)

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