UCSF

ZINC35503450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 17 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) 0.92 4.92 -42.37 3 7 1 104 237.239 5
Lo Low (pH 4.5-6) 0.92 4.78 -119.18 4 7 2 105 238.247 5

Activity (Go SEA)

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