UCSF

ZINC42901059

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 1.51 5.58 -109.16 4 2 2 32 194.322 4
Mid Mid (pH 6-8) 1.51 4.2 -36.44 3 2 1 31 193.314 4
Mid Mid (pH 6-8) 1.51 5.28 -31.72 3 2 1 30 193.314 4

Activity (Go SEA)

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