UCSF

ZINC39321260

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 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) -0.57 1.38 -88.91 4 3 2 35 171.288 2
Hi High (pH 8-9.5) -0.57 -0.86 -42.6 3 3 1 34 170.28 2

Activity (Go SEA)

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