UCSF

ZINC39914684

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 33 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) 5.21 9.34 -10.4 2 6 0 78 459.933 5
Mid Mid (pH 6-8) 5.21 10.1 -47.87 1 6 -1 81 458.925 5

Activity (Go SEA)

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