UCSF

ZINC00646458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Other Names:

MFCD03847691

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) 4.60 11.72 -13.34 2 7 0 85 388.475 4
Lo Low (pH 4.5-6) 4.77 11.74 -33.42 3 7 1 90 389.483 4

Activity (Go SEA)

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