UCSF

ZINC40174059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) 1.12 2.67 -57.54 2 5 1 77 264.367 6
Mid Mid (pH 6-8) 1.12 1.79 -13.23 1 5 0 72 263.359 6

Activity (Go SEA)

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