UCSF

ZINC34756258

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 34 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) 4.52 16.27 -13.97 0 6 0 53 469.58 3
Lo Low (pH 4.5-6) 4.52 16.58 -33.44 1 6 1 54 470.588 3

Activity (Go SEA)

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