UCSF

ZINC32233002

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 2.75 10.19 -117.29 3 4 2 40 316.445 9
Hi High (pH 8-9.5) 2.75 8.77 -40.13 2 4 1 35 315.437 9
Hi High (pH 8-9.5) 2.75 6.2 -5.02 1 4 0 34 314.429 9
Hi High (pH 8-9.5) 2.75 7.61 -38.72 2 4 1 38 315.437 9

Activity (Go SEA)

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