UCSF

ZINC71248414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2011 19 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) 1.38 3.66 -45.01 0 6 -1 98 280.26 3
Lo Low (pH 4.5-6) 1.38 3.67 -12.96 1 6 0 96 281.268 3

Activity (Go SEA)

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