UCSF

ZINC18006336

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 21 No

Other Names:

MFCD01925594

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) 4.16 4.83 -11.61 2 4 0 65 296.351 2
Mid Mid (pH 6-8) 3.67 4.78 -48.41 1 4 -1 64 295.343 3
Lo Low (pH 4.5-6) 3.67 5.23 -16.23 2 4 0 62 296.351 3

Activity (Go SEA)

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