UCSF

ZINC04970628

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 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) 4.04 6.25 -5.27 0 3 0 27 288.778 4
Mid Mid (pH 6-8) 4.04 7.78 -28.72 1 3 1 28 289.786 4

Activity (Go SEA)

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