UCSF

ZINC38549604

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 17 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) 2.82 4.36 -29.27 1 3 1 36 229.303 2
Lo Low (pH 4.5-6) 2.82 5.04 -92.4 2 3 2 37 230.311 2

Activity (Go SEA)

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