UCSF

ZINC22054140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 No

CAS Number: 2224-10-4

Other Names:

MFCD00272697

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) 1.63 0.91 -98.93 1 7 -2 122 298.32 7
Hi High (pH 8-9.5) 1.63 -1.12 -88.28 1 7 -2 121 298.32 7

Activity (Go SEA)

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