UCSF

ZINC33982822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 25 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) 0.09 1.35 -22.68 4 8 0 122 352.435 6

Activity (Go SEA)

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