UCSF

ZINC19361003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 3.10 6.62 -47.37 3 6 1 69 367.473 6
Hi High (pH 8-9.5) 3.10 4.38 -18.31 2 6 0 68 366.465 6
Hi High (pH 8-9.5) 3.10 5.18 -64.13 1 6 -1 71 365.457 6
Mid Mid (pH 6-8) 3.10 6.7 -48.91 3 6 1 69 367.473 6

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