UCSF

ZINC20375047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 23 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) 2.75 7.6 -41.9 2 5 1 50 331.827 3
Mid Mid (pH 6-8) 2.75 5.13 -9.42 1 5 0 48 330.819 3

Activity (Go SEA)

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