UCSF

ZINC34670811

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 2.10 2.73 -10.83 1 5 0 51 343.37 9
Lo Low (pH 4.5-6) 2.10 5 -48.56 2 5 1 52 344.378 9

Activity (Go SEA)

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