UCSF

ZINC19268061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 2.92 7.02 -125.13 4 3 2 41 300.393 5
Hi High (pH 8-9.5) 2.92 5.53 -49.46 3 3 1 40 299.385 5
Hi High (pH 8-9.5) 2.92 6.91 -30.59 3 3 1 40 299.385 5

Activity (Go SEA)

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