UCSF

ZINC34568991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 6.36 11.17 -11.76 0 4 0 36 397.261 3
Lo Low (pH 4.5-6) 6.36 11.18 -25.62 1 4 1 38 398.269 3

Activity (Go SEA)

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