UCSF

ZINC35699452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 1.77 5.23 -57.1 3 3 1 44 263.336 5
Mid Mid (pH 6-8) 1.77 6.98 -129.08 4 3 2 45 264.344 5
Mid Mid (pH 6-8) 1.77 6.63 -39.84 3 3 1 44 263.336 5

Activity (Go SEA)

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