UCSF

ZINC33808670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 4.99 13.83 -52.35 0 6 -1 83 469.561 11
Lo Low (pH 4.5-6) 4.99 12.54 -17.91 1 6 0 80 470.569 11

Activity (Go SEA)

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