UCSF

ZINC44106761

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 4.11 8.58 -32.46 2 2 1 26 250.406 7
Hi High (pH 8-9.5) 4.11 7.86 -1.98 1 2 0 21 249.398 7

Activity (Go SEA)

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