UCSF

ZINC21806338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.86 0.94 -39.7 3 5 -1 95 346.215 4
Mid Mid (pH 6-8) 2.86 0.29 -13.76 4 5 0 92 347.223 4

Activity (Go SEA)

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