UCSF

ZINC39293828

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) -0.24 -2.86 -67.91 3 7 -1 101 282.301 2
Mid Mid (pH 6-8) -0.96 -2.51 -37.31 4 7 0 104 283.309 2
Lo Low (pH 4.5-6) -0.24 -2.38 -43.1 4 7 0 102 283.309 2

Activity (Go SEA)

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