UCSF

ZINC04928362

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 2.96 8.65 -11.5 1 7 0 90 344.396 5
Mid Mid (pH 6-8) 3.41 6.94 -44.46 0 7 -1 93 343.388 5
Lo Low (pH 4.5-6) 2.96 8.36 -13.69 1 7 0 90 344.396 5

Activity (Go SEA)

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