UCSF

ZINC13433083

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 17 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) 2.57 6.46 -50.96 1 4 -1 69 234.275 5

Activity (Go SEA)

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