UCSF

ZINC33925293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 33 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) 1.23 12.97 -76.34 2 8 -1 134 469.901 5
Mid Mid (pH 6-8) 1.23 10.97 -46.07 3 8 0 131 470.909 5
Lo Low (pH 4.5-6) 1.23 9.9 -35.01 3 8 0 131 470.909 5

Activity (Go SEA)

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