UCSF

ZINC37827327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) 0.98 5.75 -92.3 3 4 2 41 273.446 4
Mid Mid (pH 6-8) 0.98 4.47 -41.2 2 4 1 37 272.438 4

Activity (Go SEA)

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