UCSF

ZINC37839164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) -1.72 3.84 -24.88 0 6 0 61 255.318 4
Mid Mid (pH 6-8) -1.72 5.98 -60.1 1 6 1 62 256.326 4

Activity (Go SEA)

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