UCSF

ZINC04899553

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 Yes

CAS Number: 2419-99-0

Other Names:

MFCD00080218

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) -0.28 -4.32 -64.41 3 9 -1 141 342.372 8

Activity (Go SEA)

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