UCSF

ZINC02721272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 22 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) 2.23 7.45 -11.65 1 4 0 47 297.333 4
Lo Low (pH 4.5-6) 2.23 8.65 -31.14 2 4 1 48 298.341 4

Activity (Go SEA)

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