UCSF

ZINC33880972

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 32 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) 2.49 4.35 -67.66 1 8 -1 108 505.341 10
Lo Low (pH 4.5-6) 2.49 3.59 -17.49 2 8 0 106 506.349 10

Activity (Go SEA)

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