UCSF

ZINC41046751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.20 4.77 -6.18 2 4 0 65 222.288 5
Lo Low (pH 4.5-6) 2.20 5.17 -31.72 3 4 1 66 223.296 5

Activity (Go SEA)

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