UCSF

ZINC44108205

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.68 6.02 -33.34 2 4 1 44 282.404 11
Hi High (pH 8-9.5) 2.68 5.34 -4.89 1 4 0 40 281.396 11

Activity (Go SEA)

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