UCSF

ZINC37082609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.44 4.79 -10.48 1 3 0 41 207.273 3
Hi High (pH 8-9.5) 2.44 4.77 -55.51 0 3 -1 43 206.265 3

Activity (Go SEA)

Rings

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