UCSF

ZINC38771849

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 25 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) 3.21 8.8 -55.09 2 5 1 50 373.527 5
Mid Mid (pH 6-8) 3.21 6.58 -13.55 1 5 0 48 372.519 5

Activity (Go SEA)

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