UCSF

ZINC34920018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 No

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) 5.35 11.03 -49.24 0 5 -1 73 469.926 4
Lo Low (pH 4.5-6) 5.35 10.27 -11.66 1 5 0 71 470.934 4

Activity (Go SEA)

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