UCSF

ZINC36986554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 2.24 5.02 -14.39 2 3 0 53 238.356 5
Mid Mid (pH 6-8) 2.55 4.74 -6.72 3 3 0 55 238.356 5

Activity (Go SEA)

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