UCSF

ZINC65595531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.36 10.13 -44.03 1 3 1 31 268.352 7
Mid Mid (pH 6-8) 3.36 7.88 -5.76 0 3 0 30 267.344 7

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Rings

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