UCSF

ZINC34934645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 4.20 9.42 -55.27 0 5 -1 70 449.285 5
Lo Low (pH 4.5-6) 4.20 8.66 -13.92 1 5 0 67 450.293 5

Activity (Go SEA)

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