UCSF

ZINC42866098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.65 4.62 -100.44 5 4 2 69 262.382 5
Hi High (pH 8-9.5) 0.65 2.62 -35.59 4 4 1 68 261.374 5

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