UCSF

ZINC35368360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -1.00 -1.2 -35.64 5 6 1 90 236.299 3
Mid Mid (pH 6-8) -1.00 0.95 -87.08 6 6 2 91 237.307 3

Activity (Go SEA)

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

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