UCSF

ZINC37827102

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.28 3.71 -42.89 3 4 1 57 237.323 5
Hi High (pH 8-9.5) 1.28 2.28 -8.3 2 4 0 53 236.315 5

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Rings

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