UCSF

ZINC44421231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 15 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) 2.69 6.47 -37.78 2 2 1 20 213.389 3
Hi High (pH 8-9.5) 2.69 5.5 -0.25 2 2 0 16 213.389 3
Hi High (pH 8-9.5) 2.69 5.22 0.01 1 2 0 15 212.381 3

Activity (Go SEA)

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