UCSF

ZINC34550338

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 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) 2.12 6.33 -108.03 0 2 -2 40 166.201 1
Mid Mid (pH 6-8) 2.12 5.79 -47.42 0 2 -1 40 167.209 1

Activity (Go SEA)

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