UCSF

ZINC39914579

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 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) 4.85 9.43 -10.62 2 5 0 69 425.941 5
Mid Mid (pH 6-8) 4.85 10.2 -47.49 1 5 -1 72 424.933 5

Activity (Go SEA)

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