UCSF

ZINC09993796

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) 4.24 -0.7 -51 2 7 1 80 500.015 9
Mid Mid (pH 6-8) 3.66 -0.78 -62.03 1 7 1 77 500.015 9

Activity (Go SEA)

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