UCSF

ZINC41538004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 Yes

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Annotations

None

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) 1.80 6.2 -48.14 1 5 -1 78 278.328 7
Lo Low (pH 4.5-6) 1.80 4.22 -9.34 2 5 0 76 279.336 7

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Rings

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