UCSF

ZINC08451034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 28 Yes

Other Names:

MFCD03234368

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) 5.25 -3.33 -11.22 3 4 0 68 423.588 6
Lo Low (pH 4.5-6) 5.25 -3.19 -31.95 4 4 1 69 424.596 6

Activity (Go SEA)

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