UCSF

ZINC32114502

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

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Annotations

Vendors

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) -0.04 -1.38 -48.84 4 5 1 70 267.349 6
Hi High (pH 8-9.5) -0.04 -2.82 -10.22 3 5 0 65 266.341 6
Lo Low (pH 4.5-6) -0.04 -0.49 -44.75 4 5 1 66 267.349 6
Lo Low (pH 4.5-6) -0.04 0.87 -126.42 5 5 2 71 268.357 6

Activity (Go SEA)

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