UCSF

ZINC39370436

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 13 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) 1.36 3.07 -7.29 4 4 0 67 174.207 2
Mid Mid (pH 6-8) 1.36 3.08 -7.38 4 4 0 67 174.207 2
Mid Mid (pH 6-8) 1.36 2.89 -41.79 5 4 1 68 175.215 2
Mid Mid (pH 6-8) 1.36 2.9 -52.49 5 4 1 68 175.215 2

Activity (Go SEA)

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