UCSF

ZINC37800389

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.38 2.88 -42.66 3 5 1 64 289.403 4
Mid Mid (pH 6-8) 0.38 5.11 -104.54 4 5 2 65 290.411 4

Activity (Go SEA)

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