UCSF

ZINC00646465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 Yes

Other Names:

MFCD03847695

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) 4.32 11.92 -12.27 2 9 0 103 468.517 7
Lo Low (pH 4.5-6) 4.50 12.16 -33.25 3 9 1 108 469.525 7

Activity (Go SEA)

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