UCSF

ZINC34556740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 No

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) 2.72 10.96 -40.95 1 5 1 47 364.469 3
Lo Low (pH 4.5-6) 2.72 11.42 -81.25 2 5 2 48 365.477 3

Activity (Go SEA)

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