UCSF

ZINC35769139

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 4.26 11.8 -12.56 0 7 0 68 460.578 6
Mid Mid (pH 6-8) 4.26 12.12 -35.12 1 7 1 69 461.586 6

Activity (Go SEA)

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