UCSF

ZINC62965798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 12 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) 0.12 1.92 -85.51 3 3 2 24 171.288 2
Hi High (pH 8-9.5) 0.12 -2.17 -1.89 1 3 0 19 169.272 2
Mid Mid (pH 6-8) 0.12 0.22 -34.19 2 3 1 20 170.28 2
Mid Mid (pH 6-8) 0.12 -0.47 -37 2 3 1 23 170.28 2

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

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