UCSF

ZINC20599164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 32 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) 1.68 8.4 -89.6 3 8 2 77 451.608 11
Mid Mid (pH 6-8) 1.68 6.09 -51.91 2 8 1 76 450.6 11

Activity (Go SEA)

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