UCSF

ZINC39227221

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 35 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) 4.19 13.89 -53.92 1 6 1 54 470.593 3
Hi High (pH 8-9.5) 4.19 11.71 -14.79 0 6 0 53 469.585 3

Activity (Go SEA)

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