UCSF

ZINC67654759

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 23 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) 2.16 7.48 -45.93 3 5 1 66 320.457 6

Activity (Go SEA)

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