UCSF

ZINC37846529

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) 3.41 5.57 -48.41 3 3 1 40 293.475 8
Mid Mid (pH 6-8) 3.41 7.25 -32.77 3 3 1 40 293.475 8
Mid Mid (pH 6-8) 3.41 7.7 -128 4 3 2 41 294.483 8

Activity (Go SEA)

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