UCSF

ZINC38771981

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 2.47 7.54 -53.98 2 5 1 50 319.454 5
Mid Mid (pH 6-8) 2.47 5.33 -13.94 1 5 0 48 318.446 5

Activity (Go SEA)

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