UCSF

ZINC44115640

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 2.31 3.6 -4.51 1 3 0 33 249.354 5
Mid Mid (pH 6-8) 2.31 5.87 -37.37 2 3 1 34 250.362 5

Activity (Go SEA)

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