UCSF

ZINC19272186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 20 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) 0.74 5.32 -47.61 0 5 -1 64 275.328 5
Lo Low (pH 4.5-6) 0.74 6.53 -47.65 2 5 1 62 277.344 5

Activity (Go SEA)

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