UCSF

ZINC39230110

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.61 10.08 -11.8 1 6 0 64 401.466 5
Lo Low (pH 4.5-6) 3.61 10.5 -38.95 2 6 1 65 402.474 5

Activity (Go SEA)

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