UCSF

ZINC12402758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 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) 4.03 1.73 -16.62 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.21 1.94 -15.51 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.21 3.25 -30.47 0 8 0 101 497.569 8
Mid Mid (pH 6-8) 4.03 1.68 -16.15 0 8 0 101 497.569 8

Activity (Go SEA)

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