UCSF

ZINC37373182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.92 6.02 -45.49 1 4 1 38 289.186 2
Mid Mid (pH 6-8) 1.92 3.8 -6.02 0 4 0 36 288.178 2

Activity (Go SEA)

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