UCSF

ZINC34595214

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 3.31 12.45 -55.86 1 5 -1 76 363.437 9
Lo Low (pH 4.5-6) 3.31 10.47 -18.11 2 5 0 73 364.445 9

Activity (Go SEA)

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