UCSF

ZINC39976942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 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) -0.51 -5.99 -50.33 5 11 -1 164 387.376 5
Mid Mid (pH 6-8) -0.51 -6 -20.23 6 11 0 166 388.384 5

Activity (Go SEA)

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