UCSF

ZINC06813933

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 3.03 9.56 -63.22 0 5 -1 74 358.373 5
Mid Mid (pH 6-8) 3.48 1.5 -21.28 1 5 0 70 359.381 4
Mid Mid (pH 6-8) 2.45 1.17 -11.77 0 5 0 67 359.381 5

Activity (Go SEA)

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