UCSF

ZINC45664790

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.98 1.77 -43.9 3 3 1 40 201.334 2
Lo Low (pH 4.5-6) 0.98 3.38 -117.08 4 3 2 41 202.342 2

Activity (Go SEA)

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