UCSF

ZINC43982541

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.82 6.34 -36.89 2 2 1 20 279.37 5
Lo Low (pH 4.5-6) 3.82 8.25 -109.25 3 2 2 21 280.378 5

Activity (Go SEA)

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