UCSF

ZINC36518881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 9 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) -0.02 -0.1 -42.46 3 2 1 31 129.227 1
Mid Mid (pH 6-8) -0.02 2.09 -103.08 4 2 2 32 130.235 1
Mid Mid (pH 6-8) -0.02 1.78 -28.81 3 2 1 30 129.227 1

Activity (Go SEA)

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