UCSF

ZINC98088088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 28 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) 4.48 10.79 -13.22 1 4 0 42 380.463 6
Lo Low (pH 4.5-6) 4.48 11.2 -42.3 2 4 1 43 381.471 6

Activity (Go SEA)

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

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