UCSF

ZINC60700554

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 2.01 7.78 -38.23 3 2 1 41 263.364 3
Mid Mid (pH 6-8) 2.01 7.42 -5.9 2 2 0 39 262.356 3

Activity (Go SEA)

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