UCSF

ZINC69945156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) 2.59 6.31 -101.58 3 2 2 21 212.381 1
Hi High (pH 8-9.5) 2.59 3.35 -0.35 1 2 0 15 210.365 1
Hi High (pH 8-9.5) 2.59 4.61 -36.91 2 2 1 20 211.373 1
Mid Mid (pH 6-8) 2.59 5.06 -27.72 2 2 1 16 211.373 1

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

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