UCSF

ZINC20745769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 30 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) 4.07 8.77 -12.43 1 6 0 71 420.9 3
Ref Reference (pH 7) 3.88 11.17 -10.75 1 6 0 67 420.9 3

Activity (Go SEA)

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