UCSF

ZINC22056655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) 2.18 5.86 -29.13 1 2 1 8 195.33 4
Mid Mid (pH 6-8) 2.18 3.62 -1.43 0 2 0 6 194.322 4
Lo Low (pH 4.5-6) 2.18 8.07 -101.27 2 2 2 9 196.338 4

Activity (Go SEA)

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