UCSF

ZINC19936066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 0.46 -0.07 -50.23 4 5 1 70 281.376 5
Mid Mid (pH 6-8) 0.46 1.95 -37.65 4 5 1 69 281.376 5

Activity (Go SEA)

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