UCSF

ZINC03830478

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 25 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) -0.88 -3.99 -65.39 3 10 -1 150 382.403 5
Lo Low (pH 4.5-6) -0.88 -3.76 -71.54 4 10 0 151 383.411 5

Activity (Go SEA)

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