UCSF

ZINC00661530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Other Names:

MFCD03234397

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) 5.09 -1.41 -12.31 3 5 0 77 457.477 6
Lo Low (pH 4.5-6) 5.09 -1.3 -37.31 4 5 1 78 458.485 6

Activity (Go SEA)

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