UCSF

ZINC38498111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 27 No

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Annotations

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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) -0.32 3.76 -72.16 4 10 -1 161 408.441 5
Hi High (pH 8-9.5) -0.32 5.02 -132.45 3 10 -2 164 407.433 5

Activity (Go SEA)

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