UCSF

ZINC00309204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 2.26 7.73 -48.86 2 7 -1 107 335.343 6
Lo Low (pH 4.5-6) 2.26 5.75 -12.65 3 7 0 104 336.351 6

Activity (Go SEA)

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