UCSF

ZINC61374257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 No

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) 0.63 4.52 -10.33 4 5 0 80 288.376 3
Lo Low (pH 4.5-6) 0.63 4.91 -34.4 5 5 1 81 289.384 3

Activity (Go SEA)

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

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