UCSF

ZINC35025830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 1.33 5.16 -61.06 1 9 -1 121 473.461 6
Lo Low (pH 4.5-6) 1.33 4.41 -20.28 2 9 0 118 474.469 6

Activity (Go SEA)

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