UCSF

ZINC27645782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 36 Yes

CAS Number: 103177-37-3

Other Names:

MFCD00864631

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) 4.09 10.36 -38.18 1 9 -1 117 482.52 9
Lo Low (pH 4.5-6) 4.09 10.37 -15.56 2 9 0 119 483.528 9

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.