UCSF

ZINC22047718

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 5.57 11.22 -53.89 0 3 -1 49 325.428 6
Lo Low (pH 4.5-6) 5.57 10.13 -9.74 1 3 0 47 326.436 6

Activity (Go SEA)

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