UCSF

ZINC21874020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 1.83 5 -12.12 1 7 0 76 378.432 5
Mid Mid (pH 6-8) 1.83 7.33 -50.59 2 7 1 78 379.44 5

Activity (Go SEA)

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