UCSF

ZINC06777687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 22 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) 2.49 5.86 -50.85 0 6 -1 79 321.378 5
Mid Mid (pH 6-8) 2.49 5.85 -14.46 1 6 0 77 322.386 5

Activity (Go SEA)

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