UCSF

ZINC69237056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 3.61 6.43 -41.52 3 2 1 31 287.88 7
Hi High (pH 8-9.5) 3.61 6.26 -1.07 2 2 0 29 286.872 7
Lo Low (pH 4.5-6) 3.61 7.93 -112.47 4 2 2 32 288.888 7

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

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