UCSF

ZINC48526520

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 17 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) 2.89 8.07 -10.36 0 3 0 31 223.279 1
Lo Low (pH 4.5-6) 2.89 8.27 -23.28 1 3 1 32 224.287 1

Activity (Go SEA)

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