UCSF

ZINC21992892

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 38 Yes

CAS Number: 26833-85-2

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) 1.45 5.9 -15.63 2 10 0 124 531.602 10
Mid Mid (pH 6-8) 1.45 8.25 -45.72 3 10 1 125 532.61 10

Activity (Go SEA)

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