UCSF

ZINC39230478

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) 2.28 7.72 -51.15 3 5 1 62 331.827 3
Lo Low (pH 4.5-6) 2.28 8.04 -107.52 4 5 2 63 332.835 3

Activity (Go SEA)

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