UCSF

ZINC49753899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 18 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) 1.08 7.03 -55.93 2 4 1 57 250.366 4
Mid Mid (pH 6-8) 1.08 4.77 -11.26 1 4 0 56 249.358 4

Activity (Go SEA)

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