UCSF

ZINC37323256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.52 6.93 -42 2 4 1 37 274.388 2
Mid Mid (pH 6-8) 1.52 4.71 -8.91 1 4 0 36 273.38 2

Activity (Go SEA)

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