UCSF

ZINC37094988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.58 7.59 -38.46 3 2 1 30 275.338 7
Lo Low (pH 4.5-6) 1.58 7.92 -133.25 4 2 2 32 276.346 7

Activity (Go SEA)

Rings

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