UCSF

ZINC34681976

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 2.44 11.65 -52.82 2 7 1 72 418.521 7
Lo Low (pH 4.5-6) 2.44 11.98 -111.23 3 7 2 73 419.529 7

Activity (Go SEA)

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