UCSF

ZINC16192686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 16 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) -0.53 -1.25 -29.07 2 7 0 101 218.172 0
Hi High (pH 8-9.5) -0.07 -2.37 -56.35 1 7 -1 104 217.164 0

Activity (Go SEA)

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

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