UCSF

ZINC15277073

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 30 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) 5.22 8.92 -10.64 3 5 0 81 434.952 3
Lo Low (pH 4.5-6) 5.22 9.17 -38.45 4 5 1 82 435.96 3

Activity (Go SEA)

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