UCSF

ZINC21012095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 2.65 3.84 -48.09 2 5 -1 98 300.363 3
Mid Mid (pH 6-8) 2.65 3.78 -13.2 3 5 0 96 301.371 3

Activity (Go SEA)

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