UCSF

ZINC32176402

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 3.55 7.1 -7.97 0 4 0 48 297.354 6
Lo Low (pH 4.5-6) 3.55 8.17 -48.22 1 4 1 50 298.362 6

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