UCSF

ZINC59417364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 22 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) 2.15 1.88 -14.39 2 7 0 93 321.358 6
Hi High (pH 8-9.5) 2.60 -0.23 -46.57 1 7 -1 96 320.35 6

Activity (Go SEA)

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

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