UCSF

ZINC13208122

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 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) 2.47 7.03 -11.71 1 3 0 42 230.242 2
Lo Low (pH 4.5-6) 2.47 6.81 -27.56 2 3 1 43 231.25 2

Activity (Go SEA)

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