UCSF

ZINC60029531

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 8.94 14.95 -97.92 4 2 2 33 382.721 18
Hi High (pH 8-9.5) 8.94 14.01 -37.71 3 2 1 29 381.713 18
Hi High (pH 8-9.5) 8.94 12.89 -33.67 3 2 1 29 381.713 18

Activity (Go SEA)

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