UCSF

ZINC49095252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 2.35 6.46 -52.25 2 4 1 57 252.382 4
Hi High (pH 8-9.5) 2.20 4.54 -35.62 1 4 0 64 251.374 4

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