UCSF

ZINC35721244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 Yes

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) 2.14 8.09 -68.27 2 5 0 74 300.443 10
Lo Low (pH 4.5-6) 2.14 5.53 -37.51 3 5 1 71 301.451 10

Activity (Go SEA)

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