UCSF

ZINC35340749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 1.75 2.49 -7.24 3 4 0 60 231.299 5
Mid Mid (pH 6-8) 1.75 2.98 -30.31 4 4 1 61 232.307 5

Activity (Go SEA)

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