UCSF

ZINC39274931

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 2.25 6.86 -46.95 0 3 -1 49 205.233 2
Lo Low (pH 4.5-6) 2.25 4.91 -6.82 1 3 0 47 206.241 2

Activity (Go SEA)

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