UCSF

ZINC38735686

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 30 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) 3.39 10.97 -30.8 1 6 0 67 438.94 4
Lo Low (pH 4.5-6) 3.39 11.41 -43.98 2 6 1 68 439.948 4

Activity (Go SEA)

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