UCSF

ZINC20441477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 13 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) 1.18 3.28 -44.6 2 3 1 35 180.227 1
Hi High (pH 8-9.5) 1.18 1.94 -7.68 1 3 0 30 179.219 1

Activity (Go SEA)

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