UCSF

ZINC19851876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 No

Other Names:

MFCD03300949

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) 3.26 6.99 -10.66 2 7 0 119 417.513 6
Lo Low (pH 4.5-6) 3.26 6.82 -53.33 3 7 1 121 418.521 6

Activity (Go SEA)

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