UCSF

ZINC49754390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 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) -3.27 3.48 -88.77 4 8 0 141 310.354 8
Mid Mid (pH 6-8) -3.27 1.28 -63.87 3 8 -1 139 309.346 8

Activity (Go SEA)

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