UCSF

ZINC61322525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 15 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) -1.19 0.43 -63.48 3 5 1 74 207.257 2
Hi High (pH 8-9.5) -1.19 0.14 -12.56 2 5 0 72 206.249 2

Activity (Go SEA)

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

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