UCSF

ZINC63097100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 30 No

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Annotations

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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) 3.14 4.03 -114.12 4 8 2 106 421.482 4
Hi High (pH 8-9.5) 3.14 5.66 -123.01 3 8 1 109 420.474 4

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

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