UCSF

ZINC00001164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 18 No

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Annotations

None

Vendors

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) 1.48 4.68 -71.62 1 5 -1 87 249.242 1
Mid Mid (pH 6-8) 0.20 5.49 -71.27 0 5 -1 84 249.242 1

Activity (Go SEA)

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