UCSF

ZINC40926727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.48 5.09 -7.36 2 4 0 57 270.13 2
Mid Mid (pH 6-8) 2.48 5.23 -26.67 3 4 1 58 271.138 2

Activity (Go SEA)

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