UCSF

ZINC18241090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 22 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) 2.93 8.75 -52.88 0 5 -1 78 318.736 2
Ref Reference (pH 7) 2.93 8.75 -52.83 0 5 -1 78 318.736 2
Ref Reference (pH 7) 2.93 8.8 -55.73 0 5 -1 78 318.736 2

Activity (Go SEA)

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