UCSF

ZINC04484522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 24 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) 4.36 10.85 -10.07 0 4 0 44 340.448 6
Lo Low (pH 4.5-6) 4.36 11.21 -30.02 1 4 1 45 341.456 6

Activity (Go SEA)

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