UCSF

ZINC56870872

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 No

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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) -2.97 -2.99 -135.05 5 12 -2 198 344.224 4
Lo Low (pH 4.5-6) -2.97 -3.83 -66.26 7 12 0 196 346.24 4

Activity (Go SEA)

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