UCSF

ZINC44387026

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 35 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) 8.61 17.86 -193.31 5 5 3 55 497.877 14
Mid Mid (pH 6-8) 8.61 15.77 -95.94 4 5 2 53 496.869 14
Mid Mid (pH 6-8) 8.61 13.47 -116.69 4 5 2 53 496.869 14

Activity (Go SEA)

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