UCSF

ZINC41719445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.86 6.46 -54.13 3 6 0 95 287.319 5
Hi High (pH 8-9.5) 1.86 6.04 -68.43 2 6 -1 94 286.311 5

Activity (Go SEA)

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