UCSF

ZINC63761194

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 31 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) 7.16 14.03 -107.03 2 3 2 40 399.497 3
Lo Low (pH 4.5-6) 7.16 13.99 -186.67 3 3 3 42 400.505 3

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

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