UCSF

ZINC34918322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.24 10.08 -55.26 0 7 -1 92 461.519 9
Lo Low (pH 4.5-6) 4.24 9.32 -12.64 1 7 0 89 462.527 9

Activity (Go SEA)

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