UCSF

ZINC02193847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 28 No

Other Names:

MFCD03234823

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) 1.08 3.07 -20.99 4 8 0 159 375.388 4
Lo Low (pH 4.5-6) 1.08 2.88 -60.14 5 8 1 161 376.396 4

Activity (Go SEA)

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