UCSF

ZINC37815673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 No

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) 0.12 2.61 -37.31 2 4 1 46 219.33 4
Mid Mid (pH 6-8) 0.12 1.36 -5.56 1 4 0 42 218.322 4

Activity (Go SEA)

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