UCSF

ZINC39897962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 3.47 4.49 -13.85 3 7 0 99 425.872 7
Mid Mid (pH 6-8) 3.47 4.87 -16.78 3 7 0 99 425.872 7

Activity (Go SEA)

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