UCSF

ZINC69488569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 14 Yes

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Vendors

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) -3.65 -0.31 -107.15 2 7 -2 130 203.15 6
Lo Low (pH 4.5-6) -3.65 -2.29 -55.13 3 7 -1 127 204.158 6

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

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