UCSF

ZINC04899515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 30 Yes

CAS Number: 5519-03-9

Other Names:

MFCD00058481

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) 3.99 8.79 -8.94 2 7 0 94 412.486 11

Activity (Go SEA)

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