UCSF

ZINC05455944

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 23 No

CAS Number: 69388-79-0

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) 1.24 -3.64 -16.56 0 8 0 107 347.389 6

Activity (Go SEA)

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