UCSF

ZINC66322796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 11 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) 0.54 1.16 -37.06 0 4 -1 49 148.145 1
Mid Mid (pH 6-8) 0.54 1.65 -9.16 1 4 0 51 149.153 1
Lo Low (pH 4.5-6) 0.54 2.11 -32.9 2 4 1 52 150.161 1
Lo Low (pH 4.5-6) 0.54 2.59 -98.5 3 4 2 53 151.169 1

Activity (Go SEA)

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

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