UCSF

ZINC20551088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 3.73 5.78 -5.92 2 2 0 32 259.324 5
Hi High (pH 8-9.5) 3.73 6.51 -48.15 1 2 -1 35 258.316 5
Mid Mid (pH 6-8) 3.73 7.03 -48.42 3 2 1 37 260.332 5

Activity (Go SEA)

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