UCSF

ZINC06796623

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 25 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) 2.65 9.23 -25.68 1 8 0 121 405.208 3
Mid Mid (pH 6-8) 3.17 7.81 -38.38 0 8 -1 127 404.2 3

Activity (Go SEA)

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