UCSF

ZINC09994106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 35 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) 4.19 12.09 -49.02 2 7 1 81 479.597 12
Mid Mid (pH 6-8) 3.61 12.89 -58.06 1 7 1 77 479.597 12

Activity (Go SEA)

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