UCSF

ZINC20463146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 1.16 7.3 -71.47 3 8 0 117 431.533 8
Lo Low (pH 4.5-6) 1.16 6.17 -56.86 4 8 1 114 432.541 8

Activity (Go SEA)

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