UCSF

ZINC44124703

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.43 17.58 -15.97 0 4 0 36 440.55 6
Mid Mid (pH 6-8) 7.43 17.98 -34.5 1 4 1 37 441.558 6
Lo Low (pH 4.5-6) 7.43 18.36 -68.6 2 4 2 38 442.566 6

Activity (Go SEA)

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