UCSF

ZINC27721766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 19 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) 7.22 9.07 -28.35 0 1 -1 23 375.873 1
Mid Mid (pH 6-8) 7.22 8.42 -4.19 1 1 0 20 376.881 1

Activity (Go SEA)

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