UCSF

ZINC49385580

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 31 Yes

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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) 2.39 9.58 -24.21 1 9 0 101 444.513 8
Hi High (pH 8-9.5) 2.21 8.24 -59.11 0 9 -1 107 443.505 8

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

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