UCSF

ZINC40763416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 32 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) 0.61 1.69 -22.23 4 10 0 124 462.404 7
Mid Mid (pH 6-8) 0.61 3.83 -56.24 5 10 1 125 463.412 7

Activity (Go SEA)

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