UCSF

ZINC69799241

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 1.73 4.2 -36.5 3 2 1 31 239.408 1
Hi High (pH 8-9.5) 1.73 3.87 -1.83 2 2 0 29 238.4 1
Lo Low (pH 4.5-6) 1.73 6.23 -104.12 4 2 2 32 240.416 1
Lo Low (pH 4.5-6) 1.73 5.87 -31.11 3 2 1 30 239.408 1

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

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