UCSF

ZINC39547986

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 2.89 7.91 -13.65 1 3 0 42 276.339 4
Lo Low (pH 4.5-6) 2.89 8.29 -37.61 2 3 1 43 277.347 4

Activity (Go SEA)

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