UCSF

ZINC06620937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 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) 3.31 7.51 -64.6 0 7 -1 88 424.473 10
Mid Mid (pH 6-8) 3.31 0.09 -15.43 1 7 0 85 425.481 10
Mid Mid (pH 6-8) 2.72 0.01 -24.03 0 7 0 82 425.481 10

Activity (Go SEA)

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