UCSF

ZINC42455870

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.90 4.51 -108.37 5 4 2 61 251.374 7
Hi High (pH 8-9.5) 0.90 4.13 -38.2 4 4 1 60 250.366 7
Hi High (pH 8-9.5) 0.90 2.69 -42.7 4 4 1 60 250.366 7

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Rings

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