UCSF

ZINC40161796

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 18 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) 3.81 8.99 -35.6 1 2 1 17 261.414 3
Mid Mid (pH 6-8) 3.81 6.51 -6.46 0 2 0 16 260.406 3

Activity (Go SEA)

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