UCSF

ZINC09010197

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 37 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) 6.38 11.74 -20.26 2 7 0 94 526.029 8
Mid Mid (pH 6-8) 6.34 -0.55 -11.27 1 7 0 94 526.029 8
Mid Mid (pH 6-8) 6.38 12.54 -66.07 1 7 -1 97 525.021 8

Activity (Go SEA)

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