UCSF

ZINC19510465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 0.96 2.3 -15.58 3 4 0 60 225.317 5
Mid Mid (pH 6-8) 0.96 2.75 -47.59 4 4 1 61 226.325 5

Activity (Go SEA)

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