UCSF

ZINC42864892

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 22 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) 1.86 -1 -12.67 3 8 0 106 327.724 5
Hi High (pH 8-9.5) 2.05 -3.66 -42.19 2 8 -1 112 326.716 5

Activity (Go SEA)

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