UCSF

ZINC02597494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 19 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) 2.43 6.88 -15.48 1 6 0 92 273.273 2
Mid Mid (pH 6-8) 2.43 6.15 -22.81 1 6 0 92 273.273 2
Mid Mid (pH 6-8) 2.88 4.83 -45.97 0 6 -1 95 272.265 2

Activity (Go SEA)

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