UCSF

ZINC33015836

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 22 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) 0.85 2.34 -22.34 3 7 0 104 303.318 6
Mid Mid (pH 6-8) 1.31 0.6 -61.02 2 7 -1 107 302.31 6

Activity (Go SEA)

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