UCSF

ZINC20746016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 29 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) 1.23 5.67 -20.85 1 9 0 104 395.419 5
Ref Reference (pH 7) 1.04 8.42 -19.3 1 9 0 100 395.419 5

Activity (Go SEA)

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