UCSF

ZINC98087932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 30 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) 2.17 12.42 -43.21 3 5 0 94 405.425 7
Hi High (pH 8-9.5) 2.17 12.11 -47.5 2 5 -1 92 404.417 7

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

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