UCSF

ZINC35736284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.74 6.79 -47.17 0 5 -1 53 275.357 3
Mid Mid (pH 6-8) 1.01 6.84 -11.25 1 5 0 56 276.365 3

Activity (Go SEA)

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