UCSF

ZINC08440912

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

Other Names:

MFCD03861407

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) 3.03 0.1 -50.13 2 9 1 102 513.611 11
Mid Mid (pH 6-8) 2.45 -0.08 -58.39 1 9 1 99 513.611 11

Activity (Go SEA)

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