UCSF

ZINC32114339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.25 6.61 -46.37 2 4 -1 79 265.289 4
Hi High (pH 8-9.5) 2.25 6.68 -89.47 1 4 -2 77 264.281 4
Lo Low (pH 4.5-6) 2.25 7.04 -54.43 3 4 0 80 266.297 4

Activity (Go SEA)

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