UCSF

ZINC41652481

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 0.82 0.04 -9.9 3 4 0 73 181.191 2
Hi High (pH 8-9.5) 0.82 0.95 -45.71 2 4 -1 75 180.183 2

Activity (Go SEA)

Rings

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