UCSF

ZINC25463756

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 Yes

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) 3.75 13.1 -21.69 0 8 0 70 461.566 4
Mid Mid (pH 6-8) 3.75 13.52 -38.01 1 8 1 72 462.574 4

Activity (Go SEA)

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