UCSF

ZINC40751500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) -2.04 -3.31 -22.26 3 8 0 120 281.268 5
Mid Mid (pH 6-8) -1.59 -5.39 -52.04 2 8 -1 123 280.26 5

Activity (Go SEA)

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