UCSF

ZINC04899421

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 Yes

CAS Number: 60577-37-9

Other Names:

MFCD00025566

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) -1.26 -2.96 -69.06 4 5 0 96 250.298 6

Activity (Go SEA)

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