UCSF

ZINC40503787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 2.56 5.33 -39.83 2 4 1 51 348.286 4
Hi High (pH 8-9.5) 2.56 3.1 -8.54 1 4 0 49 347.278 4

Activity (Go SEA)

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