UCSF

ZINC19960556

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) 3.28 7.46 -35.23 2 3 1 29 277.432 6
Mid Mid (pH 6-8) 3.28 8.76 -32 2 3 1 26 277.432 6
Lo Low (pH 4.5-6) 3.28 9.61 -116.28 3 3 2 30 278.44 6

Activity (Go SEA)

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