UCSF

ZINC05167101

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 24 Yes

CAS Number: 83219-99-2

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) 2.12 6.96 -41.01 1 5 -1 91 323.324 4
Mid Mid (pH 6-8) 2.12 6.22 -13.64 2 5 0 88 324.332 4
Lo Low (pH 4.5-6) 2.12 6.35 -16.01 2 5 0 88 324.332 4

Activity (Go SEA)

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