UCSF

ZINC26516020

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 13 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) 2.00 3.43 -25.38 4 3 1 52 180.275 3
Mid Mid (pH 6-8) 2.00 2.98 -4.37 3 3 0 51 179.267 3

Activity (Go SEA)

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