UCSF

ZINC65526007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 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) 2.17 2.88 -36.67 2 7 -1 80 304.765 4
Mid Mid (pH 6-8) 2.17 4.14 -31.99 3 7 0 85 305.773 4
Mid Mid (pH 6-8) 2.17 2.87 -5.04 3 7 0 82 305.773 4
Lo Low (pH 4.5-6) 2.17 4.63 -43.36 4 7 1 86 306.781 4

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

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