UCSF

ZINC19833319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.23 5.97 -58.97 4 5 1 83 295.794 7
Mid Mid (pH 6-8) 1.23 3.57 -15.05 3 5 0 82 294.786 7

Activity (Go SEA)

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