UCSF

ZINC39899150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.17 12.63 -36.08 1 6 -1 81 486.979 7
Mid Mid (pH 6-8) 6.17 11.86 -13.94 2 6 0 78 487.987 7
Mid Mid (pH 6-8) 6.17 11.53 -12.2 2 6 0 78 487.987 7

Activity (Go SEA)

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