UCSF

ZINC62940433

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 0.83 7.78 -35.39 3 3 1 34 288.459 3
Hi High (pH 8-9.5) 0.83 6.49 -41.27 3 3 1 34 288.459 3
Hi High (pH 8-9.5) 0.83 6.08 -2.29 2 3 0 32 287.451 3
Hi High (pH 8-9.5) 0.83 7.65 -31.89 3 3 1 34 288.459 3
Mid Mid (pH 6-8) 0.83 8.07 -98.27 4 3 2 35 289.467 3
Mid Mid (pH 6-8) 0.83 9.32 -107.8 4 3 2 35 289.467 3

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

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