UCSF

ZINC11820654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.28 -0.5 -44.97 1 5 1 47 446.615 5
Lo Low (pH 4.5-6) 3.28 -0.44 -116.85 2 5 2 48 447.623 5

Activity (Go SEA)

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