UCSF

ZINC49027862

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 3.12 6.66 -45.5 3 2 1 31 289.468 6
Mid Mid (pH 6-8) 3.12 7.82 -122.5 4 2 2 32 290.476 6

Activity (Go SEA)

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