UCSF

ZINC34946555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 2.27 4.47 -117.65 6 7 1 119 467.011 13
Hi High (pH 8-9.5) 2.27 3.11 -74.12 5 7 0 114 466.003 13

Activity (Go SEA)

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