UCSF

ZINC69437665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2011 24 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) 0.85 4.34 -16.01 2 8 0 98 324.344 2
Ref Reference (pH 7) 0.85 4.13 -13.82 2 8 0 98 324.344 2

Activity (Go SEA)

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