UCSF

ZINC13370344

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 26 Yes

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) 6.01 13.29 -8.59 0 2 0 26 344.502 6
Lo Low (pH 4.5-6) 6.01 13.53 -32.52 1 2 1 27 345.51 6
Lo Low (pH 4.5-6) 6.01 13.77 -76.97 2 2 2 28 346.518 6
Lo Low (pH 4.5-6) 6.01 13.53 -32.5 1 2 1 27 345.51 6

Activity (Go SEA)

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