UCSF

ZINC27639038

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 24 No

CAS Number: 13345-50-1

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) 3.76 10.84 -49.92 1 4 -1 77 333.448 12
Lo Low (pH 4.5-6) 3.76 8.72 -12.02 2 4 0 75 334.456 12
Lo Low (pH 4.5-6) 3.76 8.87 -12.24 2 4 0 75 334.456 12

Activity (Go SEA)

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