UCSF

ZINC38534603

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 20 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) 0.90 6.41 -45.1 2 5 1 60 277.344 6
Mid Mid (pH 6-8) 1.08 3.92 -40.65 1 5 0 66 276.336 6
Mid Mid (pH 6-8) 0.90 5.23 -10.61 1 5 0 59 276.336 6

Activity (Go SEA)

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