UCSF

ZINC57994991

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 30 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) 7.74 13.35 -34.57 2 4 1 50 412.642 13
Hi High (pH 8-9.5) 7.74 11.45 -13.19 1 4 0 48 411.634 13
Lo Low (pH 4.5-6) 7.74 14.32 -89.69 3 4 2 51 413.65 13

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

No pre-computed analogs available. Try a structural similarity search.