UCSF

ZINC27644753

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 12 No

CAS Number: 53308-83-1

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) -0.16 4.02 -89.91 3 5 0 88 172.208 7
Mid Mid (pH 6-8) -0.16 3.37 -72.91 4 5 0 93 173.216 7
Lo Low (pH 4.5-6) -0.16 3.5 -148.24 5 5 1 97 174.224 7
Lo Low (pH 4.5-6) -0.29 2 -32.95 5 5 1 89 174.224 6
Lo Low (pH 4.5-6) -0.16 2.04 -10.63 4 5 0 85 173.216 7

Activity (Go SEA)

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

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