UCSF

ZINC04214270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 24 Yes

CAS Number: 21562-57-2

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) 3.48 -4.87 -8.5 3 4 0 77 340.504 13

Activity (Go SEA)

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