UCSF

ZINC04993248

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 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) 4.15 8.36 -23.13 3 6 0 88 418.493 4
Mid Mid (pH 6-8) 4.29 -3.42 -13.11 2 6 0 87 418.493 4

Activity (Go SEA)

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