UCSF

ZINC39230001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 4.44 12.7 -10.84 1 5 0 58 400.526 5
Lo Low (pH 4.5-6) 4.44 13.13 -35.2 2 5 1 59 401.534 5
Lo Low (pH 4.5-6) 4.44 13.64 -92.24 3 5 2 61 402.542 5
Lo Low (pH 4.5-6) 4.44 13.18 -34.17 2 5 1 59 401.534 5

Activity (Go SEA)

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