UCSF

ZINC41659960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.16 6.2 -43.2 3 4 1 55 321.198 6
Hi High (pH 8-9.5) 2.16 4.82 -7.73 2 4 0 50 320.19 6

Activity (Go SEA)

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