UCSF

ZINC04707853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 24 Yes

CAS Number: 6359-38-2

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) 5.17 -2.22 -11.72 4 3 0 64 313.404 1

Activity (Go SEA)

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