UCSF

ZINC57522429

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 23 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) 4.61 7.87 -35.87 2 3 1 28 396.374 4
Mid Mid (pH 6-8) 4.61 5.57 -4.78 1 3 0 27 395.366 4

Activity (Go SEA)

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