UCSF

ZINC35025552

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) 3.32 10.21 -60.67 0 6 -1 83 439.491 5
Lo Low (pH 4.5-6) 3.32 9.46 -15.53 1 6 0 80 440.499 5
Lo Low (pH 4.5-6) 3.32 9.92 -42.86 2 6 1 81 441.507 5

Activity (Go SEA)

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