UCSF

ZINC02378625

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 17 Yes

Other Names:

MFCD01320032

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) 2.06 7.2 -45.11 0 4 -1 66 235.259 5
Lo Low (pH 4.5-6) 2.06 5.23 -8.11 1 4 0 64 236.267 5

Activity (Go SEA)

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