UCSF

ZINC19960193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 2.74 5.04 -49.33 2 4 1 38 277.388 5
Mid Mid (pH 6-8) 2.74 6.22 -39.93 2 4 1 35 277.388 5
Lo Low (pH 4.5-6) 2.74 7.41 -123.56 3 4 2 40 278.396 5

Activity (Go SEA)

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