UCSF

ZINC09086193

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 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) 4.61 11.19 -45.59 2 6 1 71 472.005 10
Mid Mid (pH 6-8) 4.03 11.85 -56.32 1 6 1 68 472.005 10

Activity (Go SEA)

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