UCSF

ZINC16577876

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 34 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) 6.40 14.39 -17.66 0 3 0 47 449.594 1
Mid Mid (pH 6-8) 6.56 14.27 -14.71 0 3 0 47 449.594 1
Mid Mid (pH 6-8) 6.56 14.98 -22.22 0 3 0 47 449.594 1
Mid Mid (pH 6-8) 6.40 14.34 -17.27 0 3 0 47 449.594 1

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

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