UCSF

ZINC40124060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 No

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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) 4.31 5.36 -55.16 2 7 -1 108 489.342 8
Hi High (pH 8-9.5) 4.31 6.28 -112.71 1 7 -2 111 488.334 8
Lo Low (pH 4.5-6) 4.31 4.6 -16.1 3 7 0 105 490.35 8

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