UCSF

ZINC20128753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 4.05 9.32 -34.11 2 2 1 16 326.302 6
Mid Mid (pH 6-8) 4.05 8.36 -44.38 2 2 1 20 326.302 6

Activity (Go SEA)

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