UCSF

ZINC02721382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 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) 3.96 0.64 -12.46 1 5 0 56 335.407 6
Mid Mid (pH 6-8) 0.55 0.87 -33.38 2 5 1 58 336.415 6

Activity (Go SEA)

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