UCSF

ZINC05955721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 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) 3.98 6.85 -11.75 1 4 0 60 347.164 2
Mid Mid (pH 6-8) 4.24 6.87 -41.9 0 4 -1 63 346.156 2

Activity (Go SEA)

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