UCSF

ZINC41526854

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.59 8.26 -12.3 1 6 0 88 303.343 4
Hi High (pH 8-9.5) 2.78 7.13 -33.95 0 6 -1 94 302.335 4

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

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