UCSF

ZINC20745530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 26 Yes

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) 2.47 4.61 -13.22 2 6 0 80 364.792 1
Ref Reference (pH 7) 2.28 7.01 -11.89 2 6 0 76 364.792 1

Activity (Go SEA)

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