UCSF

ZINC38199879

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 26 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) 1.90 4.89 -16 2 8 0 106 352.35 5
Mid Mid (pH 6-8) 2.36 2.92 -53.62 1 8 -1 109 351.342 5
Mid Mid (pH 6-8) 1.90 4.31 -18.67 2 8 0 106 352.35 5

Activity (Go SEA)

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