UCSF

ZINC37782888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.19 8.66 -104.75 3 4 2 41 297.487 7
Mid Mid (pH 6-8) 2.19 8.48 -38.78 2 4 1 37 296.479 7

Activity (Go SEA)

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