UCSF

ZINC52260690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 15 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) 1.03 4.74 -49.93 1 4 -1 73 208.237 4
Lo Low (pH 4.5-6) 1.03 3.54 -35.67 2 4 0 74 209.245 4

Activity (Go SEA)

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