UCSF

ZINC10110507

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 30 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) 5.12 9.46 -15.66 2 5 0 75 422.55 8
Mid Mid (pH 6-8) 5.12 9.49 -50.36 1 5 -1 77 421.542 8

Activity (Go SEA)

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