UCSF

ZINC36721946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 21 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) 1.49 -0.51 -47.34 2 6 -1 108 329.354 4
Mid Mid (pH 6-8) 1.49 -0.58 -14.39 3 6 0 106 330.362 4

Activity (Go SEA)

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