UCSF

ZINC06785148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 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) 4.28 1.23 -46.92 2 5 1 62 413.925 7
Mid Mid (pH 6-8) 3.25 0.97 -46.88 1 5 1 58 413.925 8

Activity (Go SEA)

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