UCSF

ZINC39908594

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 24 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) 6.29 13.23 -10.29 0 2 0 18 332.834 3
Lo Low (pH 4.5-6) 6.29 13.79 -25.51 1 2 1 19 333.842 3

Activity (Go SEA)

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