UCSF

ZINC00661353

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Other Names:

MFCD03697669

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) 5.11 -2.02 -14.12 3 6 0 86 453.951 5
Lo Low (pH 4.5-6) 5.11 -1.9 -41.14 4 6 1 87 454.959 5

Activity (Go SEA)

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