UCSF

ZINC65548703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 17 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) 1.42 -0.1 -172.89 6 6 3 72 253.355 3
Hi High (pH 8-9.5) 1.42 -0.08 -98.56 5 6 2 67 252.347 3

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

No pre-computed analogs available. Try a structural similarity search.