UCSF

ZINC34426562

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 14 No

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) 2.79 4.68 -7.88 1 4 0 66 189.17 1
Hi High (pH 8-9.5) 2.79 5.44 -43.23 0 4 -1 69 188.162 1

Activity (Go SEA)

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