UCSF

ZINC39917749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.77 15.02 -49.37 1 3 1 22 382.959 6
Lo Low (pH 4.5-6) 5.77 15.46 -104.74 2 3 2 24 383.967 6

Activity (Go SEA)

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