UCSF

ZINC25253820

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 25 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) 3.65 10.2 -35.44 1 4 1 41 356.877 6
Mid Mid (pH 6-8) 3.65 10.41 -38.13 1 4 1 41 356.877 6
Mid Mid (pH 6-8) 3.65 8.05 -8.88 0 4 0 40 355.869 6

Activity (Go SEA)

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