UCSF

ZINC06445081

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 29 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) -0.65 -1.67 -17.66 5 10 0 154 418.479 8
Lo Low (pH 4.5-6) -0.65 -1.38 -45.16 6 10 1 155 419.487 8

Activity (Go SEA)

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