UCSF

ZINC02247362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2004 36 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) 3.87 9.48 -14.99 2 8 0 105 480.524 6
Lo Low (pH 4.5-6) 3.87 9.89 -60.97 3 8 1 106 481.532 6

Activity (Go SEA)

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