UCSF

ZINC34940881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.54 13.38 -71.83 1 7 0 83 498.595 13
Lo Low (pH 4.5-6) 4.54 12.63 -55.82 2 7 1 81 499.603 13

Activity (Go SEA)

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