UCSF

ZINC71778751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2011 17 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) -0.15 -1.85 -18.03 3 7 0 116 238.199 5
Hi High (pH 8-9.5) 0.04 -3.4 -51.11 2 7 -1 122 237.191 5
Hi High (pH 8-9.5) -0.15 -0.64 -55.32 2 7 -1 119 237.191 5

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

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