UCSF

ZINC41045302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 13 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) 3.00 5.6 -3.55 1 2 0 25 182.242 4
Lo Low (pH 4.5-6) 3.00 6.08 -28.96 2 2 1 26 183.25 4

Activity (Go SEA)

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