UCSF

ZINC36222614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.46 0.13 -56.13 4 4 1 65 164.188 1
Hi High (pH 8-9.5) 0.46 -0.28 -12.88 3 4 0 64 163.18 1
Hi High (pH 8-9.5) 0.46 0.86 -80.76 3 4 0 68 163.18 1
Hi High (pH 8-9.5) 0.46 0.46 -51.37 2 4 -1 66 162.172 1

Activity (Go SEA)

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