UCSF

ZINC95088627

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2013 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) -0.10 1.25 -15.98 1 5 0 64 217.294 4
Lo Low (pH 4.5-6) -0.10 1.65 -36.94 2 5 1 65 218.302 4

Activity (Go SEA)

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

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