UCSF

ZINC42915272

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.32 5.82 -125.19 5 4 2 61 297.418 8
Mid Mid (pH 6-8) 2.32 5.51 -40.35 4 4 1 60 296.41 8
Mid Mid (pH 6-8) 2.32 4.43 -51.14 4 4 1 60 296.41 8

Activity (Go SEA)

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