UCSF

ZINC37860318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 2.59 6.77 -36.1 2 3 1 29 282.477 7
Mid Mid (pH 6-8) 2.59 8.12 -103.83 3 3 2 34 283.485 7

Activity (Go SEA)

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