UCSF

ZINC05939338

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 25 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) 4.32 12.89 -8.82 1 3 0 30 325.415 5
Lo Low (pH 4.5-6) 4.32 13.4 -33.12 2 3 1 31 326.423 5

Activity (Go SEA)

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