UCSF

ZINC20727411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 17 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) 1.26 2.86 -37.73 2 4 1 37 245.387 6
Mid Mid (pH 6-8) 1.26 0.39 -4.25 1 4 0 36 244.379 6

Activity (Go SEA)

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