UCSF

ZINC09424929

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 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) 5.11 12.23 -62.27 0 7 -1 92 515.542 4
Mid Mid (pH 6-8) 4.52 12.22 -25.31 0 7 0 86 516.55 4
Mid Mid (pH 6-8) 5.55 11.24 -33.29 1 7 0 89 516.55 3

Activity (Go SEA)

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