UCSF

ZINC39548121

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 28 Yes

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) 2.61 5.48 -17.64 2 6 0 88 395.484 8
Lo Low (pH 4.5-6) 2.61 5.86 -44.94 3 6 1 89 396.492 8

Activity (Go SEA)

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