UCSF

ZINC42908833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.45 8.15 -116.85 4 2 2 32 234.387 5
Hi High (pH 8-9.5) 2.45 7.83 -32.49 3 2 1 30 233.379 5
Mid Mid (pH 6-8) 2.45 6.46 -37.12 3 2 1 31 233.379 5

Activity (Go SEA)

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