UCSF

ZINC00017389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 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) 4.03 10.09 -12.46 1 4 0 51 326.403 5
Lo Low (pH 4.5-6) 4.03 10.37 -39.3 2 4 1 52 327.411 5

Activity (Go SEA)

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