UCSF

ZINC41728308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 2.27 8.59 -40.07 3 2 1 33 289.83 2
Hi High (pH 8-9.5) 2.27 8.28 -5.2 2 2 0 31 288.822 2

Activity (Go SEA)

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