UCSF

ZINC13810294

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 30 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) 4.64 12.16 -74.74 1 5 0 65 467.78 7
Mid Mid (pH 6-8) 5.09 11.01 -64.41 2 5 1 62 468.788 6

Activity (Go SEA)

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