UCSF

ZINC34681901

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.06 11.66 -48.69 2 7 1 68 483.539 7
Lo Low (pH 4.5-6) 4.06 12.02 -106.33 3 7 2 69 484.547 7

Activity (Go SEA)

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