UCSF

ZINC37235888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.78 5.71 -15.41 1 5 0 55 273.365 4
Mid Mid (pH 6-8) 1.78 6.92 -53.77 2 5 1 60 274.373 4

Activity (Go SEA)

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