UCSF

ZINC43982337

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.85 10.16 -90.83 3 3 2 24 287.536 11
Hi High (pH 8-9.5) 3.85 7.99 -32.41 2 3 1 23 286.528 11

Activity (Go SEA)

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