UCSF

ZINC76945332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 35 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) 4.70 6.81 -55.19 3 5 -1 101 487.701 2
Lo Low (pH 4.5-6) 4.70 5.02 -8.85 4 5 0 98 488.709 2

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

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