UCSF

ZINC20509230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 25 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) 2.87 7.08 -41.72 3 5 1 63 358.849 5
Hi High (pH 8-9.5) 2.87 6.24 -47.14 3 5 1 66 358.849 5
Hi High (pH 8-9.5) 2.87 4.82 -8.51 2 5 0 61 357.841 5
Lo Low (pH 4.5-6) 2.87 8.47 -125.22 4 5 2 67 359.857 5

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