UCSF

ZINC62523300

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 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) 2.06 5.04 -39.13 2 5 1 55 299.435 9
Mid Mid (pH 6-8) 2.06 4.24 -5.9 1 5 0 51 298.427 9
Mid Mid (pH 6-8) 2.06 6.4 -42.71 2 5 1 52 299.435 9
Mid Mid (pH 6-8) 2.06 7.28 -110.8 3 5 2 57 300.443 9

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

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