UCSF

ZINC36190269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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 9.02 -40.54 1 5 1 42 273.36 3
Mid Mid (pH 6-8) 2.12 6.65 -9.85 0 5 0 41 272.352 3

Activity (Go SEA)

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