UCSF

ZINC39962908

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 29 Yes

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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) 2.22 6.53 -17.41 2 7 0 93 389.411 4
Hi High (pH 8-9.5) 3.52 6.2 -56.23 1 7 -1 96 388.403 4
Lo Low (pH 4.5-6) 2.22 6.97 -25.48 3 7 1 95 390.419 4

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