UCSF

ZINC00056545

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 20 Yes

CAS Number: 57-47-6

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) 1.94 5.97 -40.16 2 5 1 46 276.36 2
Hi High (pH 8-9.5) 1.94 3.28 -9.83 1 5 0 45 275.352 2

Activity (Go SEA)

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