UCSF

ZINC20717754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 32 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) 4.37 10.13 -12.97 1 6 0 71 426.52 3
Ref Reference (pH 7) 4.18 12.52 -10.52 1 6 0 67 426.52 3

Activity (Go SEA)

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