UCSF

ZINC19688679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 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) 1.27 4.56 -87.09 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 1.27 2.32 -40.31 2 3 1 23 226.388 3
Mid Mid (pH 6-8) 1.27 3.17 -33.04 2 3 1 20 226.388 3
Mid Mid (pH 6-8) 1.27 4.59 -101.98 3 3 2 24 227.396 3

Activity (Go SEA)

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