UCSF

ZINC12402756

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) 3.72 -0.12 -12.3 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.90 -0.03 -12.32 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.90 1.29 -20.57 1 8 0 112 483.542 7
Mid Mid (pH 6-8) 3.72 0.01 -13.94 1 8 0 112 483.542 7

Activity (Go SEA)

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