UCSF

ZINC36853373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 0.57 3.7 -50.38 3 6 1 83 282.364 5
Mid Mid (pH 6-8) 0.57 2.45 -13.18 2 6 0 79 281.356 5

Activity (Go SEA)

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