UCSF

ZINC48235439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 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) 0.97 3.52 -11.27 1 8 0 80 325.376 5
Lo Low (pH 4.5-6) 0.97 5.79 -54.85 2 8 1 82 326.384 5

Activity (Go SEA)

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