UCSF

ZINC15826428

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 22 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) 1.36 6.64 -44.71 0 8 -1 105 300.298 4
Lo Low (pH 4.5-6) 1.36 7.09 -21.19 1 8 0 107 301.306 4

Activity (Go SEA)

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