UCSF

ZINC12938662

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 19 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) 3.06 7.02 -11.45 1 3 0 42 248.285 2
Lo Low (pH 4.5-6) 3.06 7.29 -31.19 2 3 1 43 249.293 2

Activity (Go SEA)

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