UCSF

ZINC24102311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 25 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) 3.37 4.29 -47.76 1 5 -1 77 391.778 5
Lo Low (pH 4.5-6) 3.37 3.83 -15.95 2 5 0 75 392.786 5

Activity (Go SEA)

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