UCSF

ZINC22085005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 34 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) 4.83 10.58 -20.19 2 6 0 76 477.992 9
Lo Low (pH 4.5-6) 4.83 10.97 -43.61 3 6 1 78 479 9

Activity (Go SEA)

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