UCSF

ZINC41681639

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.48 6.85 -34.51 2 3 1 20 262.421 7
Hi High (pH 8-9.5) 2.48 4.37 -3.12 1 3 0 19 261.413 7
Hi High (pH 8-9.5) 2.48 6.48 -33.85 2 3 1 20 262.421 7
Lo Low (pH 4.5-6) 2.48 8.93 -111.74 3 3 2 21 263.429 7

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