UCSF

ZINC09422293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 22 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) 4.70 10.13 -6.25 0 2 0 37 320.339 5
Lo Low (pH 4.5-6) 4.70 10.29 -34.76 1 2 1 38 321.347 5

Activity (Go SEA)

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