UCSF

ZINC04552110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 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) 3.61 12.01 -10.68 0 9 0 127 482.448 3
Ref Reference (pH 7) 3.61 13.48 -16.26 0 9 0 127 482.448 3

Activity (Go SEA)

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