UCSF

ZINC34080563

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 32 No

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) 1.52 1.98 -61.54 2 8 -1 136 464.56 12
Lo Low (pH 4.5-6) 1.34 3.14 -23.69 3 8 0 130 465.568 12

Activity (Go SEA)

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