UCSF

ZINC61296155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 1.28 3.76 -36.7 2 5 1 49 298.451 5
Hi High (pH 8-9.5) 1.28 3.86 -6.89 1 5 0 45 297.443 5
Mid Mid (pH 6-8) 1.28 5.75 -86.67 3 5 2 51 299.459 5

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

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