UCSF

ZINC34848301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 No

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) 4.18 12.87 -60.91 0 5 -1 70 424.476 7
Lo Low (pH 4.5-6) 4.18 11.98 -12.59 1 5 0 67 425.484 7

Activity (Go SEA)

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