UCSF

ZINC04170822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 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) 3.79 -0.1 -12.55 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.97 -0.03 -12.81 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.97 1.21 -14.45 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.79 0.01 -16.07 0 8 0 110 420.849 7

Activity (Go SEA)

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