UCSF

ZINC34974612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.50 0.79 -40.22 0 5 -1 75 237.622 1
Lo Low (pH 4.5-6) 1.05 3.44 -8.09 1 5 0 72 238.63 1

Activity (Go SEA)

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