UCSF

ZINC38570865

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 31 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) 3.55 8.18 -28.41 2 7 1 91 418.473 7
Lo Low (pH 4.5-6) 3.55 8.6 -83.6 3 7 2 93 419.481 7

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

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