UCSF

ZINC35687334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.53 6.87 -85.85 2 5 1 52 258.386 8
Hi High (pH 8-9.5) 0.53 4.59 -65.44 1 5 0 51 257.378 8

Activity (Go SEA)

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