UCSF

ZINC43252886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.08 7.06 -45.86 3 2 1 31 303.923 7
Hi High (pH 8-9.5) 4.08 8.09 -30.94 3 2 1 30 303.923 7
Hi High (pH 8-9.5) 4.08 6.85 -0.96 2 2 0 29 302.915 7
Lo Low (pH 4.5-6) 4.08 8.18 -114.61 4 2 2 32 304.931 7

Activity (Go SEA)

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