UCSF

ZINC12402770

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 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) 4.27 0.46 -12.1 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 0.58 -11.9 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.45 1.84 -14.79 0 8 0 101 481.526 6
Mid Mid (pH 6-8) 4.27 0.49 -12.59 0 8 0 101 481.526 6

Activity (Go SEA)

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