UCSF

ZINC34966892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.76 8.98 -12.78 0 5 0 60 375.24 2
Lo Low (pH 4.5-6) 3.76 9.44 -43.1 1 5 1 61 376.248 2

Activity (Go SEA)

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