UCSF

ZINC36239650

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 30 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) 5.01 13.76 -50.79 2 4 1 37 417.964 4
Hi High (pH 8-9.5) 5.01 11.01 -8.07 1 4 0 33 416.956 4
Lo Low (pH 4.5-6) 5.01 13.74 -86.66 3 4 2 38 418.972 4

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