UCSF

ZINC31934162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 3.46 10.58 -9.3 0 3 0 42 261.328 3
Mid Mid (pH 6-8) 3.46 11 -31.42 1 3 1 43 262.336 3

Activity (Go SEA)

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