UCSF

ZINC35733916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 No

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) 2.45 7.68 -46.8 0 4 -1 44 245.331 3
Mid Mid (pH 6-8) 1.72 7.27 -10.07 1 4 0 47 246.339 3

Activity (Go SEA)

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