UCSF

ZINC40106613

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.28 3.83 -21.39 3 8 0 120 422.264 4
Lo Low (pH 4.5-6) 1.28 4.39 -45.74 4 8 1 121 423.272 4

Activity (Go SEA)

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