UCSF

ZINC21961411

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 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) 0.92 5.5 -104.83 3 3 2 34 195.31 5
Hi High (pH 8-9.5) 0.92 1.85 -4.03 1 3 0 28 193.294 5
Mid Mid (pH 6-8) 0.92 4.37 -35.04 2 3 1 29 194.302 5
Mid Mid (pH 6-8) 0.92 3.03 -32.96 2 3 1 33 194.302 5
Lo Low (pH 4.5-6) 0.92 5.03 -82.63 3 3 2 31 195.31 5

Activity (Go SEA)

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