UCSF

ZINC22938669

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 11 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) -0.99 -0.5 -45.93 4 3 1 53 152.221 4
Mid Mid (pH 6-8) -0.99 0.48 -43.39 4 3 1 56 152.221 4
Lo Low (pH 4.5-6) -0.99 -0.04 -86.07 5 3 2 54 153.229 4

Activity (Go SEA)

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