UCSF

ZINC38778623

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 1.64 4.96 -6.8 1 5 0 52 272.352 2
Mid Mid (pH 6-8) 1.64 7.19 -39.21 2 5 1 53 273.36 2

Activity (Go SEA)

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