UCSF

ZINC42909447

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.08 4.71 -116.62 5 4 2 61 277.412 4
Mid Mid (pH 6-8) 1.08 2.75 -40.1 4 4 1 60 276.404 4
Mid Mid (pH 6-8) 1.08 4.42 -35.4 4 4 1 60 276.404 4

Activity (Go SEA)

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