UCSF

ZINC42894144

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.63 3.13 -48.67 4 4 1 70 231.275 2
Mid Mid (pH 6-8) 1.63 2.83 -7.85 3 4 0 68 230.267 2

Activity (Go SEA)

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