UCSF

ZINC69238760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 2.68 9.46 -107.97 3 4 2 38 280.441 7
Hi High (pH 8-9.5) 2.68 8.33 -8.09 1 4 0 33 278.425 7
Mid Mid (pH 6-8) 2.68 9.7 -47.08 2 4 1 37 279.433 7

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

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