UCSF

ZINC37846502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.51 5.93 -48.22 3 3 1 40 293.475 9
Mid Mid (pH 6-8) 3.51 7.5 -31.69 3 3 1 40 293.475 9
Mid Mid (pH 6-8) 3.51 7.84 -123.75 4 3 2 41 294.483 9

Activity (Go SEA)

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