UCSF

ZINC08440929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 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 12.09 -24.61 2 8 0 102 494.551 7
Mid Mid (pH 6-8) 4.20 11.9 -148.73 0 8 -2 108 492.535 7

Activity (Go SEA)

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