UCSF

ZINC39680942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 29 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) 0.12 5.99 -68.88 3 7 1 92 394.499 4
Lo Low (pH 4.5-6) 0.12 6.45 -115.45 4 7 2 93 395.507 4

Activity (Go SEA)

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