UCSF

ZINC37806254

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) -1.36 3.98 -17.16 3 5 0 75 287.363 4
Mid Mid (pH 6-8) -1.36 4.33 -42.29 4 5 1 77 288.371 4

Activity (Go SEA)

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