UCSF

ZINC00847248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 27 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) 5.89 -0.83 -7.13 0 4 0 56 477.342 4
Mid Mid (pH 6-8) 6.07 -0.73 -8.41 0 4 0 55 477.342 4
Mid Mid (pH 6-8) 6.07 0.58 -10.44 0 4 0 55 477.342 4
Mid Mid (pH 6-8) 5.89 -0.9 -10.92 0 4 0 55 477.342 4

Activity (Go SEA)

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