UCSF

ZINC21296663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 31 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) 3.72 9.32 -23.03 1 7 0 75 434.569 5
Mid Mid (pH 6-8) 3.72 11.71 -57.25 2 7 1 77 435.577 5

Activity (Go SEA)

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