UCSF

ZINC71572099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 20 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) 2.76 6.16 -24 1 6 0 83 273.223 2
Hi High (pH 8-9.5) 2.76 6.94 -58.94 0 6 -1 86 272.215 2
Lo Low (pH 4.5-6) 2.76 6.59 -43.2 2 6 1 85 274.231 2

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

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