UCSF

ZINC06075842

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 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) 2.62 4.96 -13.58 2 5 0 67 309.369 3
Mid Mid (pH 6-8) 2.62 5.41 -37.55 3 5 1 68 310.377 3

Activity (Go SEA)

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