UCSF

ZINC34222720

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 24 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) -0.51 7.37 -69.73 1 6 -1 86 331.323 3
Mid Mid (pH 6-8) -0.51 5.36 -18.32 2 6 0 83 332.331 3
Lo Low (pH 4.5-6) -3.25 5.38 -31.94 2 6 0 89 332.331 2

Activity (Go SEA)

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