UCSF

ZINC20128942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 14 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) 1.45 7 -111.14 3 2 2 21 216.394 5
Mid Mid (pH 6-8) 1.45 5.72 -36.06 2 2 1 16 215.386 5
Mid Mid (pH 6-8) 1.45 4.48 -45.01 2 2 1 20 215.386 5

Activity (Go SEA)

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