UCSF

ZINC39984975

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 19 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) 0.26 5.97 -8.47 0 4 0 46 253.305 4
Lo Low (pH 4.5-6) 0.26 6.31 -37.5 1 4 1 47 254.313 4

Activity (Go SEA)

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