UCSF

ZINC68958778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 13 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) 1.03 5.61 -27.84 1 3 1 28 181.259 2
Mid Mid (pH 6-8) 1.03 5.15 -6.66 0 3 0 27 180.251 2

Activity (Go SEA)

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

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