UCSF

ZINC41483301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 1.80 7.95 -9.13 0 5 0 56 293.363 11
Mid Mid (pH 6-8) 1.80 10.07 -50.21 1 5 1 57 294.371 11

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Rings

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