UCSF

ZINC20746049

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) 2.82 4.83 -10.51 2 6 0 80 382.782 1
Ref Reference (pH 7) 2.63 7.23 -8.86 2 6 0 76 382.782 1

Activity (Go SEA)

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