UCSF

ZINC61452151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 0.11 -1.96 -52.8 3 9 1 106 283.312 5
Mid Mid (pH 6-8) 0.11 -3.26 -10.51 2 9 0 102 282.304 5

Activity (Go SEA)

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

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