UCSF

ZINC22042269

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 Yes

Other Names:

MFCD18429210

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) 3.96 10.77 -37.6 2 3 1 34 335.471 6
Lo Low (pH 4.5-6) 3.96 11.71 -116.21 3 3 2 38 336.479 6

Activity (Go SEA)

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