UCSF

ZINC32205837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.92 9.4 -34.51 2 2 1 16 307.458 8
Hi High (pH 8-9.5) 3.92 9.13 -2.77 1 2 0 15 306.45 8
Lo Low (pH 4.5-6) 3.92 8.51 -42.59 2 2 1 20 307.458 8

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