UCSF

ZINC40487846

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 23 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) 1.78 5.79 -14.61 1 6 0 64 333.413 5
Lo Low (pH 4.5-6) 1.78 6.11 -35.94 2 6 1 65 334.421 5

Activity (Go SEA)

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