UCSF

ZINC06621533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 No

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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) 2.83 7.62 -59.46 0 6 -1 79 398.41 8
Mid Mid (pH 6-8) 2.83 0.67 -12.77 1 6 0 76 399.418 8
Mid Mid (pH 6-8) 2.25 0.52 -14.46 0 6 0 72 399.418 8

Activity (Go SEA)

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