UCSF

ZINC19708266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 27 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) 3.29 10.46 -49.11 0 5 -1 63 374.445 2
Lo Low (pH 4.5-6) 2.83 11.54 -12.29 1 5 0 60 375.453 2

Activity (Go SEA)

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