UCSF

ZINC20189929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.69 8.36 -38.43 2 2 1 16 330.265 5
Mid Mid (pH 6-8) 3.70 7.4 -49.42 2 2 1 20 330.265 5

Activity (Go SEA)

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