UCSF

ZINC43411421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.93 3.09 -31.98 3 3 1 40 229.388 5
Mid Mid (pH 6-8) 1.93 4.23 -32.91 3 3 1 37 229.388 5
Lo Low (pH 4.5-6) 1.93 5.18 -104.87 4 3 2 41 230.396 5

Activity (Go SEA)

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