UCSF

ZINC39956603

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 No

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) 1.46 6.21 -10.47 1 6 0 84 244.254 4
Lo Low (pH 4.5-6) 1.46 6.61 -35.57 2 6 1 85 245.262 4

Activity (Go SEA)

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