UCSF

ZINC49401989

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 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) 3.39 7.7 -36.73 2 3 1 34 314.247 5
Hi High (pH 8-9.5) 3.39 5.49 -7.1 1 3 0 32 313.239 5

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Rings

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