UCSF

ZINC06920087

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 19 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) 1.81 2.7 -12.54 1 5 0 64 275.333 4
Lo Low (pH 4.5-6) 1.81 3.42 -39.85 2 5 1 65 276.341 4

Activity (Go SEA)

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