UCSF

ZINC43253550

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.47 7.98 -115.88 4 4 2 52 333.929 8
Hi High (pH 8-9.5) 2.47 5.43 -6.17 2 4 0 50 331.913 8
Mid Mid (pH 6-8) 2.47 7.56 -35.49 3 4 1 51 332.921 8
Mid Mid (pH 6-8) 2.47 5.75 -49.83 3 4 1 51 332.921 8

Activity (Go SEA)

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