UCSF

ZINC59362767

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 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) 3.56 6.39 -48.48 0 3 -1 49 275.227 3
Lo Low (pH 4.5-6) 3.56 5.44 -8.08 1 3 0 47 276.235 3

Activity (Go SEA)

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