UCSF

ZINC18057678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 15 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) 0.63 -0.71 -9.6 2 5 0 71 206.201 2
Hi High (pH 8-9.5) 0.81 -2.27 -48.78 1 5 -1 77 205.193 2
Lo Low (pH 4.5-6) 0.63 0.09 -10.1 3 5 0 73 207.209 2
Lo Low (pH 4.5-6) 0.63 -1.09 -36.86 3 5 1 73 207.209 2

Activity (Go SEA)

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