UCSF

ZINC13803021

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 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) 4.51 12.36 -213.32 10 6 4 98 523.895 28
Mid Mid (pH 6-8) 4.51 13.74 -310.38 11 6 5 102 524.903 28

Activity (Go SEA)

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