UCSF

ZINC04097730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 No

CAS Number: 42529-06-6

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) -1.01 -3.79 -40.69 6 7 1 133 303.246 1
Hi High (pH 8-9.5) -1.01 -3.3 -25.71 5 7 0 135 302.238 1
Hi High (pH 8-9.5) -1.01 -2.97 -45.19 5 7 0 135 302.238 1

Activity (Go SEA)

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