UCSF

ZINC41684941

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) 0.90 5.8 -51.41 3 4 1 57 287.383 1
Hi High (pH 8-9.5) 0.90 5.4 -11.37 2 4 0 56 286.375 1

Activity (Go SEA)

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