UCSF

ZINC67490824

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 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) 3.58 7.8 -36.89 3 5 1 62 342.492 4
Hi High (pH 8-9.5) 3.58 7.33 -9.25 2 5 0 61 341.484 4
Mid Mid (pH 6-8) 3.58 9.74 -107.11 4 5 2 63 343.5 4
Lo Low (pH 4.5-6) 3.58 9.28 -41.97 3 5 1 62 342.492 4

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

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