UCSF

ZINC62027121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 27 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) 0.89 -1.68 -18.05 2 9 0 119 439.581 10
Hi High (pH 8-9.5) 0.89 -1.19 -45.91 1 9 -1 117 438.573 10

Activity (Go SEA)

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

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