UCSF

ZINC22036188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) -0.20 1.12 -31.41 3 3 1 34 182.291 0
Hi High (pH 8-9.5) -0.20 1.34 -34.49 3 3 1 34 182.291 0
Hi High (pH 8-9.5) -0.20 -0.58 -42.04 3 3 1 34 182.291 0
Mid Mid (pH 6-8) -0.19 1.55 -114.97 4 3 2 35 183.299 0

Activity (Go SEA)

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