UCSF

ZINC21548956

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 25 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) 2.46 4.67 -12.41 2 6 0 70 356.451 4
Lo Low (pH 4.5-6) 3.02 6.11 -34.13 3 6 1 75 357.459 3

Activity (Go SEA)

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