UCSF

ZINC04899701

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 Yes

CAS Number: 39621-72-2

Other Names:

MFCD00237553

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) -2.08 1.57 -66.46 7 10 0 171 331.373 11

Activity (Go SEA)

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