UCSF

ZINC13070266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 35 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) 5.57 11.7 -12.16 1 6 0 70 467.569 4
Mid Mid (pH 6-8) 5.57 11.75 -38.22 2 6 1 71 468.577 4

Activity (Go SEA)

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