UCSF

ZINC61290067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 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) 1.84 5.39 -76.4 3 5 0 86 286.278 5
Hi High (pH 8-9.5) 1.84 4.16 -54.83 2 5 -1 81 285.27 5

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Rings

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