UCSF

ZINC39917008

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 29 Yes

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Vendors

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) 5.42 14.56 -38.66 1 4 1 31 392.567 8
Mid Mid (pH 6-8) 5.42 12.1 -10.96 0 4 0 30 391.559 8
Mid Mid (pH 6-8) 5.42 12.8 -26.63 1 4 1 32 392.567 8

Activity (Go SEA)

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