UCSF

ZINC05750122

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 20 Yes

Other Names:

MFCD01871608

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) 2.11 8.01 -70.16 0 5 -1 75 283.185 3
Lo Low (pH 4.5-6) 2.11 6.77 -57.98 1 5 0 78 284.193 3

Activity (Go SEA)

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