UCSF

ZINC69511407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 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) 1.03 7.36 -38.21 3 6 1 67 338.435 5
Hi High (pH 8-9.5) 1.03 6.9 -21.8 2 6 0 66 337.427 5
Lo Low (pH 4.5-6) 1.03 9.06 -51.17 3 6 1 67 338.435 5

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

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