UCSF

ZINC52541372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.69 9.66 -105.65 3 2 2 21 268.42 7
Hi High (pH 8-9.5) 3.69 9.25 -29.39 2 2 1 16 267.412 7
Mid Mid (pH 6-8) 3.69 7.12 -36.02 2 2 1 20 267.412 7

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Rings

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