UCSF

ZINC61966123

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2011 20 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) -1.90 -5.25 -47.19 6 9 1 134 285.28 3

Activity (Go SEA)

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