UCSF

ZINC69795034

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) 0.43 4.68 -55.9 2 6 1 73 222.272 5
Hi High (pH 8-9.5) 0.43 3.4 -11.09 1 6 0 69 221.264 5
Lo Low (pH 4.5-6) 0.43 5.2 -119.93 3 6 2 75 223.28 5

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

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