UCSF

ZINC17441721

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2008 27 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) 3.66 8.24 -12 1 5 0 64 363.461 9
Mid Mid (pH 6-8) 3.73 6.7 -11.89 1 5 0 68 363.461 9
Lo Low (pH 4.5-6) 3.66 8.52 -46.09 2 5 1 65 364.469 9
Lo Low (pH 4.5-6) 3.73 7.09 -91.47 3 5 2 70 365.477 9

Activity (Go SEA)

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