UCSF

ZINC41684714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.91 3.84 -43.59 2 6 1 70 289.425 7
Hi High (pH 8-9.5) 0.91 1.37 -9.25 1 6 0 69 288.417 7

Activity (Go SEA)

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