UCSF

ZINC03954617

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 22 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) 1.31 4.61 -14.54 2 6 0 83 288.314 3
Mid Mid (pH 6-8) 1.31 4.62 -10.93 2 6 0 83 288.314 3

Activity (Go SEA)

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