UCSF

ZINC13544400

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 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) -0.06 -1.4 -16.92 5 9 0 140 341.393 6
Lo Low (pH 4.5-6) -0.06 -1.14 -37.13 6 9 1 141 342.401 6
Lo Low (pH 4.5-6) -0.06 -5.51 -38.58 6 9 1 141 342.401 6

Activity (Go SEA)

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