UCSF

ZINC34940950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 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) 5.56 15.5 -72.1 1 7 0 83 540.676 16
Lo Low (pH 4.5-6) 5.56 14.75 -52.65 2 7 1 81 541.684 16

Activity (Go SEA)

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