UCSF

ZINC69945154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 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) 2.59 6.6 -102.4 3 2 2 21 212.381 1
Hi High (pH 8-9.5) 2.59 4.9 -36.01 2 2 1 20 211.373 1
Hi High (pH 8-9.5) 2.59 3.63 -0.37 1 2 0 15 210.365 1
Mid Mid (pH 6-8) 2.59 5.34 -27.84 2 2 1 16 211.373 1

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

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