UCSF

ZINC43471209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.64 5.63 -51.17 3 4 1 53 284.383 4
Lo Low (pH 4.5-6) 1.64 6.09 -86.11 4 4 2 54 285.391 4

Activity (Go SEA)

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