UCSF

ZINC35297214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 34 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) 4.36 11.44 -50.94 0 7 -1 95 480.541 8
Lo Low (pH 4.5-6) 4.36 10.69 -13.14 1 7 0 93 481.549 8

Activity (Go SEA)

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