UCSF

ZINC19434303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) -0.22 1.47 -48.7 3 4 1 51 214.333 5
Mid Mid (pH 6-8) -0.22 3.79 -96.8 4 4 2 52 215.341 5

Activity (Go SEA)

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