UCSF

ZINC07998002

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 24 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) 3.30 6.44 -40.46 2 4 1 47 327.448 4
Lo Low (pH 4.5-6) 3.30 6.87 -90.79 3 4 2 48 328.456 4

Activity (Go SEA)

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