UCSF

ZINC20715231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 4.24 7.58 -11.78 2 6 0 80 400.482 3
Ref Reference (pH 7) 4.05 9.98 -9.79 2 6 0 76 400.482 3

Activity (Go SEA)

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