UCSF

ZINC62942699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.25 6.28 -85.42 4 4 2 48 268.43 2
Hi High (pH 8-9.5) -0.25 4.37 -5.87 2 4 0 45 266.414 2
Mid Mid (pH 6-8) -0.25 5.96 -36.2 3 4 1 47 267.422 2

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

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