UCSF

ZINC01690396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 2.25 -1.55 -9.87 2 5 0 69 205.265 4
Lo Low (pH 4.5-6) 2.25 -1.41 -33.02 3 5 1 70 206.273 4

Activity (Go SEA)

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