UCSF

ZINC70118508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 14 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) 0.39 0.27 -48.39 3 5 1 68 197.262 2
Hi High (pH 8-9.5) 0.39 0.01 -7.36 2 5 0 66 196.254 2

Activity (Go SEA)

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

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