UCSF

ZINC42204656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 0.79 4.2 -14.33 2 6 0 84 247.254 4
Lo Low (pH 4.5-6) 0.79 4.69 -41.98 3 6 1 85 248.262 4
Lo Low (pH 4.5-6) 0.79 4.22 -11.75 2 6 0 84 247.254 4

Activity (Go SEA)

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