UCSF

ZINC15776048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 19 Yes

Other Names:

MFCD00167679

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) 1.29 5.17 -49.62 1 5 -1 82 257.269 3
Lo Low (pH 4.5-6) 1.29 5.46 -52.63 2 5 0 83 258.277 3

Activity (Go SEA)

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