UCSF

ZINC42445098

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.71 5.1 -45.69 4 4 1 63 321.264 6
Mid Mid (pH 6-8) 2.71 2.89 -5.69 3 4 0 62 320.256 6

Activity (Go SEA)

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