UCSF

ZINC01533052

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 1.23 6.18 -12.14 2 8 0 102 338.408 8
Mid Mid (pH 6-8) 1.23 6.66 -48.64 3 8 1 104 339.416 8

Activity (Go SEA)

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