UCSF

ZINC11616542

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 12 No

CAS Number: 32449-92-6

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) -2.54 -4.05 -12.03 3 6 0 104 176.124 2
Hi High (pH 8-9.5) -2.54 -4.83 -47.31 2 6 -1 107 175.116 2
Hi High (pH 8-9.5) -2.54 -3.29 -46.25 2 6 -1 107 175.116 2

Activity (Go SEA)

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