UCSF

ZINC69910098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 16 No

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) 1.33 4.49 -40.5 2 3 1 29 245.412 3
Hi High (pH 8-9.5) 1.33 4.81 -34.57 2 3 1 26 245.412 3
Hi High (pH 8-9.5) 1.33 2.93 -3.31 1 3 0 24 244.404 3
Lo Low (pH 4.5-6) 1.33 5.93 -121.43 3 3 2 30 246.42 3

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

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