UCSF

ZINC04938919

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 2.57 9.61 -19 1 8 0 91 369.425 4
Mid Mid (pH 6-8) 2.57 10.1 -54.55 2 8 1 92 370.433 4

Activity (Go SEA)

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