UCSF

ZINC22563149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 20 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) 0.93 7.58 -101.56 4 3 2 35 277.456 4
Hi High (pH 8-9.5) 0.93 5.27 -41.96 3 3 1 34 276.448 4
Hi High (pH 8-9.5) 0.93 5.18 -2.26 2 3 0 32 275.44 4
Mid Mid (pH 6-8) 0.93 7.13 -36.63 3 3 1 34 276.448 4

Activity (Go SEA)

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