UCSF

ZINC40284617

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 31 No

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) 0.22 5.27 -27.31 3 10 0 138 440.485 6
Ref Reference (pH 7) 0.03 7.7 -26.67 3 10 0 134 440.485 6

Activity (Go SEA)

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