UCSF

ZINC09243118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.82 5.1 -14.84 3 7 0 99 441.915 7
Ref Reference (pH 7) 3.82 4.92 -12.2 3 7 0 99 441.915 7
Hi High (pH 8-9.5) 3.80 5.55 -53.89 1 7 -1 98 440.907 7
Hi High (pH 8-9.5) 3.80 5.34 -50.87 1 7 -1 98 440.907 7
Hi High (pH 8-9.5) 3.82 5.87 -44.72 2 7 -1 102 440.907 7
Mid Mid (pH 6-8) 3.82 5.69 -49.87 2 7 -1 102 440.907 7

Activity (Go SEA)

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