UCSF

ZINC59595962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) -0.30 -0.93 -13.6 4 5 0 92 236.271 6
Mid Mid (pH 6-8) -0.30 -0.6 -51.78 5 5 1 94 237.279 6

Activity (Go SEA)

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