UCSF

ZINC05800468

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 16 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) 0.07 3.86 -19.63 2 6 0 76 219.248 2
Mid Mid (pH 6-8) 0.07 4.81 -50.86 3 6 1 77 220.256 2

Activity (Go SEA)

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