UCSF

ZINC41680283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.45 4.75 -87.47 3 5 2 51 259.394 7
Hi High (pH 8-9.5) 0.45 3.55 -39.43 2 5 1 46 258.386 7

Activity (Go SEA)

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