UCSF

ZINC34568453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 2.87 8.33 -37.28 4 8 1 109 353.406 7
Mid Mid (pH 6-8) 2.87 7.87 -7.47 3 8 0 108 352.398 7

Activity (Go SEA)

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