UCSF

ZINC40860541

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 26 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) 2.41 7.86 -11.78 3 8 0 101 355.446 8
Lo Low (pH 4.5-6) 2.41 8.33 -41.71 4 8 1 102 356.454 8

Activity (Go SEA)

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