UCSF

ZINC45713738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 22 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) -0.74 4.42 -48.65 1 8 1 86 331.418 3
Mid Mid (pH 6-8) -0.74 2.25 -15.8 0 8 0 85 330.41 3

Activity (Go SEA)

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