UCSF

ZINC15840737

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 23 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) 4.10 7.81 -15.79 1 4 0 51 326.783 4
Lo Low (pH 4.5-6) 4.17 6.81 -29.98 2 4 1 56 327.791 4

Activity (Go SEA)

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