UCSF

ZINC39916906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 25 Yes

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) 4.71 11.79 -31.6 1 3 1 22 358.868 4
Mid Mid (pH 6-8) 4.71 9.36 -9.21 0 3 0 21 357.86 4

Activity (Go SEA)

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