UCSF

ZINC19517620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 No

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) 1.36 6.64 -16.66 3 6 0 89 281.319 2
Lo Low (pH 4.5-6) 1.36 7.1 -32.69 4 6 1 91 282.327 2

Activity (Go SEA)

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