UCSF

ZINC04016718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 35 Yes

CAS Number: 22888-70-6

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) 1.47 -1.75 -16.57 5 10 0 155 482.441 4
Hi High (pH 8-9.5) 1.47 -0.76 -55.79 4 10 -1 158 481.433 4
Hi High (pH 8-9.5) 1.47 -0.47 -55.48 4 10 -1 158 481.433 4

Activity (Go SEA)

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