UCSF

ZINC35003595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.18 6.3 -61.57 0 9 -1 107 468.482 9
Lo Low (pH 4.5-6) 2.18 5.57 -15.65 1 9 0 104 469.49 9

Activity (Go SEA)

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