UCSF

ZINC05794972

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 26 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) 4.17 10.63 -13.14 1 7 0 91 370.434 6
Mid Mid (pH 6-8) 4.17 10.7 -90.87 2 7 0 92 371.442 6

Activity (Go SEA)

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