UCSF

ZINC06499134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 32 No

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) 3.54 10.31 -47.19 2 6 1 71 439.507 10
Mid Mid (pH 6-8) 2.96 10.96 -56.88 1 6 1 68 439.507 10

Activity (Go SEA)

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