UCSF

ZINC41046741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 1.67 4.13 -6.24 2 4 0 65 208.261 4
Lo Low (pH 4.5-6) 1.67 4.53 -31.65 3 4 1 66 209.269 4

Activity (Go SEA)

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