UCSF

ZINC69096429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 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) 1.75 7.32 -34.46 2 5 1 46 298.451 7
Hi High (pH 8-9.5) 1.75 3.96 -3.85 1 5 0 45 297.443 7
Mid Mid (pH 6-8) 1.75 7.44 -95.21 3 5 2 51 299.459 7

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

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