UCSF

ZINC15011997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 No

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Annotations

Vendors

    None

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) 5.41 6.43 -39.24 1 4 -1 64 453.135 3
Mid Mid (pH 6-8) 5.41 7.7 -50.35 1 4 -1 65 453.135 3
Mid Mid (pH 6-8) 5.41 7.21 -91.02 0 4 -2 67 452.127 3
Mid Mid (pH 6-8) 5.41 6.92 -14.82 2 4 0 62 454.143 3

Activity (Go SEA)

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