UCSF

ZINC43902383

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.89 8.66 -116.11 3 2 2 21 234.387 4
Hi High (pH 8-9.5) 2.89 6.72 -33.81 2 2 1 20 233.379 4
Mid Mid (pH 6-8) 2.89 7.54 -29.46 2 2 1 16 233.379 4

Activity (Go SEA)

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