UCSF

ZINC42944841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.22 7.68 -118.6 4 2 2 32 256.821 6
Hi High (pH 8-9.5) 3.22 5.65 -45.58 3 2 1 31 255.813 6
Mid Mid (pH 6-8) 3.22 7.39 -36.79 3 2 1 30 255.813 6

Activity (Go SEA)

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