UCSF

ZINC12402802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 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) 3.50 0.77 -13.95 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 0.96 -13.28 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 2.3 -27.64 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.50 0.73 -13.7 0 6 0 82 443.546 6

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