UCSF

ZINC27788872

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.32 5.7 -14.15 2 6 0 87 305.293 2
Mid Mid (pH 6-8) 2.78 4.57 -53.63 1 6 -1 90 304.285 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.