UCSF

ZINC41601038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 1.53 6.31 -9.03 1 4 0 49 223.301 1
Hi High (pH 8-9.5) 1.99 4.33 -47.12 0 4 -1 52 222.293 1

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

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