UCSF

ZINC40860040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 32 No

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) 6.60 13.83 -65.17 0 3 -1 57 443.692 3
Lo Low (pH 4.5-6) 6.60 11.83 -10.19 1 3 0 54 444.7 3

Activity (Go SEA)

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