UCSF

ZINC34687801

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 5.35 9.06 -17.94 2 6 0 116 444.579 6
Lo Low (pH 4.5-6) 5.35 9.01 -51.07 3 6 1 117 445.587 6

Activity (Go SEA)

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