UCSF

ZINC40102707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 5.44 12.87 -63.8 0 5 -1 70 440.519 9
Lo Low (pH 4.5-6) 5.44 12.11 -16.08 1 5 0 67 441.527 9

Activity (Go SEA)

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