UCSF

ZINC44722374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 1.65 5.63 -114.44 4 4 2 51 278.396 7
Hi High (pH 8-9.5) 1.65 2.03 -5.74 2 4 0 45 276.38 7
Mid Mid (pH 6-8) 1.65 4.44 -35.4 3 4 1 46 277.388 7
Lo Low (pH 4.5-6) 1.65 3.23 -45.22 3 4 1 49 277.388 7

Activity (Go SEA)

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