UCSF

ZINC35123218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) -0.52 6.69 -61.39 0 6 -1 81 267.305 4
Lo Low (pH 4.5-6) -0.52 3.9 -15.56 1 6 0 78 268.313 4

Activity (Go SEA)

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