UCSF

ZINC49474794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 0.21 2.34 -119.59 4 4 2 46 231.384 9
Mid Mid (pH 6-8) 0.21 1 -40.96 3 4 1 41 230.376 9
Mid Mid (pH 6-8) 0.21 1.01 -38.27 3 4 1 41 230.376 9
Mid Mid (pH 6-8) 0.21 3.27 -86.29 4 4 2 42 231.384 9
Lo Low (pH 4.5-6) 0.21 4.62 -199.72 5 4 3 47 232.392 9

Activity (Go SEA)

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