UCSF

ZINC65535026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.41 4.01 -25.53 4 5 1 65 349.458 5
Hi High (pH 8-9.5) 2.41 4.04 -5.94 3 5 0 64 348.45 5
Lo Low (pH 4.5-6) 2.41 6.06 -95.97 5 5 2 67 350.466 5
Lo Low (pH 4.5-6) 2.41 5.41 -101.21 5 5 2 70 350.466 5

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

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