UCSF

ZINC36680574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 3.82 6.44 -22.24 1 10 0 132 424.413 9
Hi High (pH 8-9.5) 4.00 3.52 -48.99 0 10 -1 139 423.405 9

Activity (Go SEA)

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