UCSF

ZINC20730858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 26 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) 1.96 7.55 -20.18 1 7 0 93 412.247 3
Ref Reference (pH 7) 1.77 10.32 -16.37 1 7 0 90 412.247 3

Activity (Go SEA)

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