UCSF

ZINC09425104

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 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) 4.18 11.3 -51.85 2 7 1 81 479.597 9
Mid Mid (pH 6-8) 3.60 0.88 -60.78 1 7 1 77 479.597 9

Activity (Go SEA)

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