UCSF

ZINC35731220

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 No

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) 1.80 6.41 -41.32 1 3 1 21 232.76 2
Mid Mid (pH 6-8) 1.80 4.05 -5.48 0 3 0 19 231.752 2

Activity (Go SEA)

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