UCSF

ZINC31916443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 No

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Annotations

Vendors

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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) 3.64 9.55 -19.99 2 4 0 53 339.464 6
Mid Mid (pH 6-8) 3.64 9.97 -32.86 3 4 1 54 340.472 6

Activity (Go SEA)

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