UCSF

ZINC40400792

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 24 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) 5.65 10.65 -30.29 2 4 1 52 321.4 6
Hi High (pH 8-9.5) 5.65 10.27 -10.02 1 4 0 51 320.392 6
Hi High (pH 8-9.5) 5.39 10.72 -29.14 2 4 1 56 321.4 5

Activity (Go SEA)

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