UCSF

ZINC16968447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 25 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) 3.50 4.68 -11.72 2 6 0 81 336.347 5
Mid Mid (pH 6-8) 3.50 5.57 -50.92 1 6 -1 84 335.339 5

Activity (Go SEA)

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