UCSF

ZINC49626465

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 41 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) 7.21 14.1 -98.44 6 5 2 83 595.611 14
Hi High (pH 8-9.5) 7.21 13.08 -47.95 5 5 1 78 594.603 14

Activity (Go SEA)

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