UCSF

ZINC69236576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 4.98 10.12 -113.51 4 3 2 47 293.499 4
Hi High (pH 8-9.5) 4.98 8.09 -4.47 2 3 0 41 291.483 4
Hi High (pH 8-9.5) 4.98 8.9 -27.57 3 3 1 42 292.491 4
Mid Mid (pH 6-8) 4.98 9.3 -39.48 3 3 1 45 292.491 4

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

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