UCSF

ZINC12436655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 4.03 10.32 -103.57 0 7 -2 106 405.435 4
Mid Mid (pH 6-8) 4.52 10.68 -51.68 1 7 -1 107 406.443 3

Activity (Go SEA)

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