UCSF

ZINC49548278

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 No

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) 1.95 2.41 -14.36 4 7 0 113 311.392 3
Hi High (pH 8-9.5) 1.02 1.87 -50.49 3 7 -1 112 310.384 4
Mid Mid (pH 6-8) 1.02 2.35 -48.6 4 7 0 113 311.392 4
Mid Mid (pH 6-8) 1.95 2.89 -35.36 5 7 1 114 312.4 3

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

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