UCSF

ZINC09272239

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 3.88 10.72 -54.39 0 9 -1 125 467.498 10
Mid Mid (pH 6-8) 4.32 9.7 -27.85 1 9 0 122 468.506 9
Mid Mid (pH 6-8) 3.29 1.1 -20.67 0 9 0 118 468.506 10

Activity (Go SEA)

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