UCSF

ZINC39109890

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 16 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) 2.32 8.48 -40.15 1 3 1 22 218.324 4
Hi High (pH 8-9.5) 2.32 6.56 -8.55 0 3 0 21 217.316 4
Mid Mid (pH 6-8) 2.32 7.01 -24.05 1 3 1 22 218.324 4
Mid Mid (pH 6-8) 2.32 8.98 -86.7 2 3 2 23 219.332 4

Activity (Go SEA)

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