UCSF

ZINC09849731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 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) 2.17 0.01 -38.78 2 3 1 37 243.33 5
Lo Low (pH 4.5-6) 2.17 0.13 -96.51 3 3 2 38 244.338 5

Activity (Go SEA)

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