UCSF

ZINC69051749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 15 No

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Annotations

None

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) 3.63 6.24 -5.34 0 1 0 12 306.225 3
Lo Low (pH 4.5-6) 3.63 7.24 -31.81 1 1 1 14 307.233 3

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

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