UCSF

ZINC36721192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 1.46 4.7 -42.8 1 5 -1 76 269.708 3
Lo Low (pH 4.5-6) 1.46 5.18 -33.87 2 5 0 78 270.716 3

Activity (Go SEA)

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