UCSF

ZINC38601241

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 13 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) 0.20 1.31 -39.97 3 5 1 68 194.243 1
Lo Low (pH 4.5-6) 0.20 1.77 -99 4 5 2 70 195.251 1
Lo Low (pH 4.5-6) 0.20 2.17 -109.36 4 5 2 70 195.251 1
Lo Low (pH 4.5-6) 0.20 1.37 -120.11 4 5 2 70 195.251 1

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

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