UCSF

ZINC61559741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2011 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) 3.10 10.38 -37.83 1 3 1 26 275.416 3
Mid Mid (pH 6-8) 3.10 8.18 -6.21 0 3 0 25 274.408 3

Activity (Go SEA)

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