UCSF

ZINC34613142

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) -0.15 9.44 -112.19 3 6 0 93 359.401 3
Mid Mid (pH 6-8) -0.15 7.44 -65.44 4 6 1 90 360.409 3
Lo Low (pH 4.5-6) -2.90 6.4 -97.33 4 6 1 96 360.409 2

Activity (Go SEA)

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