UCSF

ZINC21819561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 5.06 7.17 -44.85 3 2 1 37 406.525 3
Mid Mid (pH 6-8) 5.06 6.89 -2.91 2 2 0 35 405.517 3

Activity (Go SEA)

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