UCSF

ZINC05604252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 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) 2.96 10.26 -6.84 1 5 0 59 275.315 2
Ref Reference (pH 7) 2.96 9.46 -14.79 0 5 0 56 275.315 2
Mid Mid (pH 6-8) 2.96 10.46 -28.44 2 5 1 60 276.323 2
Lo Low (pH 4.5-6) 2.96 9.79 -37.75 1 5 1 58 276.323 2

Activity (Go SEA)

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