UCSF

ZINC21815245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 2.09 4 -15.64 3 5 0 85 291.376 3
Mid Mid (pH 6-8) 2.09 4.06 -51.06 2 5 -1 87 290.368 3

Activity (Go SEA)

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