UCSF

ZINC37082604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.10 4.77 -9.4 1 3 0 41 241.718 3
Hi High (pH 8-9.5) 3.10 5.28 -50.92 0 3 -1 43 240.71 3

Activity (Go SEA)

Rings

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