UCSF

ZINC06144539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 30 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) 2.36 8.17 -12.96 3 8 0 105 424.892 6
Mid Mid (pH 6-8) 2.53 8.44 -52.61 4 8 1 109 425.9 6
Lo Low (pH 4.5-6) 2.36 8.44 -43.86 4 8 1 106 425.9 6

Activity (Go SEA)

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