UCSF

ZINC33832006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 No

CAS Numbers: 24699-16-9 , [24699-16-9]

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) -0.16 -10.52 -17.47 8 11 0 201 422.342 2
Hi High (pH 8-9.5) -0.16 -9.63 -52.34 7 11 -1 204 421.334 2
Hi High (pH 8-9.5) -0.16 -9.59 -54.41 7 11 -1 204 421.334 2

Activity (Go SEA)

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