UCSF

ZINC09216364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 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) 4.96 12.72 -12.06 1 5 0 62 467.953 5
Mid Mid (pH 6-8) 4.96 11.97 -11.78 1 5 0 62 467.953 5

Activity (Go SEA)

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