UCSF

ZINC63696795

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 19 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) 2.33 6.91 -41.88 2 4 1 46 258.345 5
Hi High (pH 8-9.5) 2.15 5.95 -32.99 1 4 0 53 257.337 5
Lo Low (pH 4.5-6) 2.33 7.37 -85.24 3 4 2 48 259.353 5

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