UCSF

ZINC49754555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) -0.90 3.91 -62.19 3 6 1 86 281.38 7
Mid Mid (pH 6-8) -0.90 1.67 -20.55 2 6 0 85 280.372 7

Activity (Go SEA)

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