UCSF

ZINC61480497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) -0.03 1.47 -36.89 3 4 1 57 213.301 3
Hi High (pH 8-9.5) -0.03 0.19 -8.9 2 4 0 53 212.293 3

Activity (Go SEA)

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

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