UCSF

ZINC02378684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 19 Yes

Other Names:

MFCD01320078

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) 3.52 9.72 -47.25 0 3 -1 57 269.267 8
Lo Low (pH 4.5-6) 3.52 7.75 -9.79 1 3 0 54 270.275 8

Activity (Go SEA)

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