UCSF

ZINC01352629

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 2.32 6.42 -24.51 2 5 0 71 303.749 3
Lo Low (pH 4.5-6) 2.32 6.2 -33.83 3 5 1 72 304.757 3

Activity (Go SEA)

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