UCSF

ZINC69760735

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 0.85 3.12 -40.24 3 2 1 31 247.453 2
Hi High (pH 8-9.5) 0.85 2.69 -2.34 2 2 0 29 246.445 2
Lo Low (pH 4.5-6) 0.85 4.97 -111.12 4 2 2 32 248.461 2

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

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