UCSF

ZINC09271260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 3.69 8.88 -48.28 2 8 1 90 481.569 9
Mid Mid (pH 6-8) 2.66 -0.83 -50.06 1 8 1 86 481.569 10

Activity (Go SEA)

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