UCSF

ZINC09789656

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 21 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) 0.59 0.68 -14.85 0 8 0 92 290.279 2
Mid Mid (pH 6-8) 0.59 1.58 -36.24 1 8 1 92 291.287 2

Activity (Go SEA)

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