UCSF

ZINC55633254

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 24 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) 2.75 4 -42.98 0 6 -1 80 369.85 9
Mid Mid (pH 6-8) 2.75 3.99 -10.83 1 6 0 78 370.858 9

Activity (Go SEA)

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