UCSF

ZINC41685545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 1.47 7.85 -45.93 2 5 1 63 297.419 7
Hi High (pH 8-9.5) 1.47 6.51 -8.2 1 5 0 59 296.411 7

Activity (Go SEA)

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