UCSF

ZINC57366618

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 17 No

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) 1.32 7.86 -37.98 1 6 1 66 237.283 3
Mid Mid (pH 6-8) 1.32 5.63 -8.59 0 6 0 65 236.275 3

Activity (Go SEA)

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