UCSF

ZINC19927106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 14 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) 1.23 4.77 -34.03 2 2 1 16 189.282 1
Hi High (pH 8-9.5) 1.23 3.7 -39.74 2 2 1 20 189.282 1
Hi High (pH 8-9.5) 1.23 2.29 -3.21 1 2 0 15 188.274 1

Activity (Go SEA)

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