UCSF

ZINC39230379

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 23 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) 3.98 8.17 -7.29 2 4 0 54 317.477 6
Lo Low (pH 4.5-6) 3.98 8.64 -38.01 3 4 1 55 318.485 6

Activity (Go SEA)

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