UCSF

ZINC65743231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 23 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) 1.94 6.37 -21.11 1 8 0 119 319.317 6
Mid Mid (pH 6-8) 1.94 7.22 -52.39 0 8 -1 122 318.309 6

Activity (Go SEA)

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