UCSF

ZINC20717718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 28 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) 2.55 4.01 -12.52 2 7 0 89 394.818 2
Ref Reference (pH 7) 2.36 6.5 -11.1 2 7 0 85 394.818 2

Activity (Go SEA)

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