UCSF

ZINC20253757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) 0.04 2.69 -8.51 0 4 0 46 180.207 2
Mid Mid (pH 6-8) 0.04 5.02 -52.25 1 4 1 48 181.215 2

Activity (Go SEA)

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