UCSF

ZINC42952453

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.94 3.14 -42.02 3 2 1 31 258.183 3
Mid Mid (pH 6-8) 1.94 5.89 -121.48 4 2 2 32 259.191 3

Activity (Go SEA)

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