UCSF

ZINC11616939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 21 No

CAS Number: 75176-37-3

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) 0.69 -0.78 -56.08 0 4 -1 60 324.447 5
Hi High (pH 8-9.5) 0.69 -1.74 -110.44 0 4 -2 60 323.439 5

Activity (Go SEA)

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