UCSF

ZINC04212747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 24 Yes

CAS Number: 2259-96-3

Other Names:

MFCD00210192

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) 1.82 -1.48 -21.33 4 7 0 118 389.886 2
Hi High (pH 8-9.5) 1.82 -2.01 -45.37 3 7 -1 120 388.878 2

Activity (Go SEA)

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