UCSF

ZINC41585821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.67 10.24 -33.87 2 6 1 71 462.957 4
Hi High (pH 8-9.5) 4.67 10.66 -42.98 0 6 -1 73 460.941 4
Mid Mid (pH 6-8) 4.67 11 -49.63 1 6 0 74 461.949 4
Mid Mid (pH 6-8) 4.67 9.9 -9.82 1 6 0 70 461.949 4
Mid Mid (pH 6-8) 4.67 12.09 -48.32 2 6 1 71 462.957 4
Lo Low (pH 4.5-6) 4.67 12.44 -105.95 3 6 2 72 463.965 4

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

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