UCSF

ZINC38575915

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) -1.19 -2.02 -35.45 2 7 -1 99 207.217 3
Mid Mid (pH 6-8) -1.19 -1.68 -12.11 3 7 0 97 208.225 3
Lo Low (pH 4.5-6) -1.19 -1.14 -11.3 3 7 0 100 208.225 4

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

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