UCSF

ZINC37039647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.13 2.03 -94.97 5 5 2 64 270.421 5
Mid Mid (pH 6-8) -0.13 -0.2 -45.94 4 5 1 63 269.413 5
Lo Low (pH 4.5-6) -0.13 2.07 -116.26 5 5 2 64 270.421 5

Activity (Go SEA)

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