UCSF

ZINC43968805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.86 7.96 -31.8 2 3 1 29 293.475 11
Mid Mid (pH 6-8) 3.86 8.92 -33.95 2 3 1 26 293.475 11

Activity (Go SEA)

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