UCSF

ZINC24258238

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 10 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) 0.04 2.51 -97.05 4 2 2 32 142.246 1
Mid Mid (pH 6-8) 0.04 -0.06 -45.31 3 2 1 31 141.238 1
Mid Mid (pH 6-8) 0.04 2.12 -29.67 3 2 1 30 141.238 1

Activity (Go SEA)

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