UCSF

ZINC28664155

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 16 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) 1.63 3.36 -37.44 0 5 -1 69 222.268 5
Lo Low (pH 4.5-6) 1.18 4.18 -9.69 1 5 0 66 223.276 5

Activity (Go SEA)

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