UCSF

ZINC35004231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 1.25 5.62 -70.66 2 9 0 113 454.479 7
Lo Low (pH 4.5-6) 1.25 4.88 -52.33 3 9 1 110 455.487 7

Activity (Go SEA)

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