UCSF

ZINC37822779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -1.17 2.96 -9.73 2 4 0 50 257.337 3
Mid Mid (pH 6-8) -1.17 3.31 -45.46 3 4 1 51 258.345 3
Lo Low (pH 4.5-6) -1.17 5.55 -103.43 4 4 2 52 259.353 3

Activity (Go SEA)

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