UCSF

ZINC20739156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 27 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) 3.36 5.22 -11.56 2 6 0 80 399.237 1
Ref Reference (pH 7) 3.17 7.73 -10.43 2 6 0 76 399.237 1

Activity (Go SEA)

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