UCSF

ZINC16778588

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 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) 3.78 9.22 -9.4 0 2 0 17 240.331 2
Mid Mid (pH 6-8) 3.78 9.65 -27 1 2 1 19 241.339 2

Activity (Go SEA)

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