UCSF

ZINC19411937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 0.61 2.77 -38.05 2 4 1 40 226.344 3
Hi High (pH 8-9.5) 0.61 1.48 -8.8 1 4 0 36 225.336 3
Mid Mid (pH 6-8) 0.61 5.06 -93.76 3 4 2 41 227.352 3

Activity (Go SEA)

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