UCSF

ZINC08581421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 14 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) 1.80 6.55 -7.21 0 2 0 26 182.226 2
Lo Low (pH 4.5-6) 1.80 6.69 -25.89 1 2 1 27 183.234 2
Lo Low (pH 4.5-6) 1.80 6.86 -85.54 2 2 2 28 184.242 2

Activity (Go SEA)

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