UCSF

ZINC40568352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 29 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) 4.30 11.46 -40.47 2 5 1 52 391.491 8
Hi High (pH 8-9.5) 4.30 9.01 -13.1 1 5 0 51 390.483 8

Activity (Go SEA)

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