UCSF

ZINC39381478

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 24 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) 4.62 9.89 -39.45 2 3 1 33 323.46 8
Mid Mid (pH 6-8) 4.62 10.85 -36.3 2 3 1 30 323.46 8
Mid Mid (pH 6-8) 4.62 12 -115 3 3 2 34 324.468 8

Activity (Go SEA)

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