UCSF

ZINC37869919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 Yes

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) 0.42 1.01 -34.87 4 4 1 69 195.242 4
Mid Mid (pH 6-8) 0.42 -0.12 -8.26 3 4 0 64 194.234 4

Activity (Go SEA)

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