UCSF

ZINC33334679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 29 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) 1.89 3.52 -43.5 0 8 -1 103 399.354 5
Lo Low (pH 4.5-6) 1.43 6.23 -13.32 1 8 0 100 400.362 5

Activity (Go SEA)

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