UCSF

ZINC22027610

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 3.86 10.58 -106.69 2 2 2 9 256.478 8
Mid Mid (pH 6-8) 3.86 8.51 -32.44 1 2 1 8 255.47 8

Activity (Go SEA)

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