UCSF

ZINC42462287

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.22 0.09 -34.45 4 4 1 64 214.333 4
Mid Mid (pH 6-8) 1.22 2.44 -99.57 5 4 2 65 215.341 4

Activity (Go SEA)

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