UCSF

ZINC08858205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 No

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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) 1.95 7.31 -51.42 2 8 1 93 452.531 9
Mid Mid (pH 6-8) 1.37 7.97 -62.3 1 8 1 90 452.531 9
Lo Low (pH 4.5-6) 2.40 7.27 -126.49 3 8 2 95 453.539 8
Lo Low (pH 4.5-6) 1.37 8.25 -127.23 2 8 2 91 453.539 9

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