UCSF

ZINC38609864

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 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) 3.38 7.78 -24.78 4 8 0 122 468.513 7
Mid Mid (pH 6-8) 3.38 8.56 -64.32 3 8 -1 124 467.505 7

Activity (Go SEA)

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