UCSF

ZINC21944138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.63 9.38 -23.76 1 7 0 86 400.438 6
Lo Low (pH 4.5-6) 1.63 9.82 -60.49 2 7 1 87 401.446 6

Activity (Go SEA)

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