UCSF

ZINC34656758

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 19 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) 2.61 7.34 -44.23 2 3 1 39 257.357 5
Lo Low (pH 4.5-6) 2.61 7.79 -80.33 3 3 2 40 258.365 5

Activity (Go SEA)

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