UCSF

ZINC34598462

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) -3.97 -2.53 -105.61 11 10 2 186 329.405 8
Mid Mid (pH 6-8) -3.97 -2.87 -47.72 10 10 1 185 328.397 8

Activity (Go SEA)

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