UCSF

ZINC62802971

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 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) 1.95 6.4 -40.39 3 4 1 55 325.23 6
Hi High (pH 8-9.5) 1.95 6.04 -6.19 2 4 0 53 324.222 6
Mid Mid (pH 6-8) 1.95 6.92 -110.34 4 4 2 56 326.238 6

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

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