UCSF

ZINC20179798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.74 5.14 -42.01 2 3 1 23 234.367 5
Lo Low (pH 4.5-6) 1.74 7.5 -121.41 3 3 2 24 235.375 5
Lo Low (pH 4.5-6) 1.74 6.1 -36.7 2 3 1 20 234.367 5

Activity (Go SEA)

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