UCSF

ZINC41705961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.83 8.49 -12.91 0 3 0 35 240.306 3
Lo Low (pH 4.5-6) 1.83 8.85 -50.48 1 3 1 36 241.314 3

Activity (Go SEA)

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