UCSF

ZINC39760863

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 4.99 11.12 -19.61 2 6 0 84 426.501 6
Hi High (pH 8-9.5) 5.06 9.46 -57.89 1 6 -1 90 425.493 6

Activity (Go SEA)

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