UCSF

ZINC78477966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2012 16 No

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Annotations

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Vendors

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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) 2.18 7.62 -6.05 1 3 0 38 237.372 4
Mid Mid (pH 6-8) 2.18 8 -30.86 2 3 1 39 238.38 4

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

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