UCSF

ZINC49709216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 5.20 11.9 -15.8 0 6 0 58 426.605 10
Mid Mid (pH 6-8) 5.20 13.82 -55.33 1 6 1 60 427.613 10

Activity (Go SEA)

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