UCSF

ZINC06382346

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 3.87 10.01 -62.16 0 5 -1 70 398.866 6
Mid Mid (pH 6-8) 3.87 0.67 -12.2 1 5 0 66 399.874 6
Mid Mid (pH 6-8) 3.28 0.54 -21.37 0 5 0 63 399.874 6

Activity (Go SEA)

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