UCSF

ZINC49004070

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 30 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) 4.44 10.73 -23.82 1 6 0 77 420.538 4
Lo Low (pH 4.5-6) 4.44 11.13 -41 2 6 1 78 421.546 4

Activity (Go SEA)

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