UCSF

ZINC61329816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 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) 0.70 2.49 -35.71 4 4 1 60 280.417 2
Hi High (pH 8-9.5) 0.70 1.05 -5.26 3 4 0 58 279.409 2
Hi High (pH 8-9.5) 1.02 1.29 -25.95 3 4 0 63 279.409 2
Lo Low (pH 4.5-6) 0.70 2.29 -46.45 4 4 1 63 280.417 2

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

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