UCSF

ZINC37004774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.04 5.8 -9.36 1 4 0 45 231.299 3
Mid Mid (pH 6-8) 2.04 6.13 -31.4 2 4 1 46 232.307 3

Activity (Go SEA)

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