UCSF

ZINC00703585

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Other Names:

MFCD02130090

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) 4.34 12.46 -12.46 2 8 0 94 438.491 6
Lo Low (pH 4.5-6) 4.51 12.81 -37.59 3 8 1 99 439.499 6

Activity (Go SEA)

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