UCSF

ZINC26482666

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 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) 2.96 6.45 -56.01 1 4 -1 65 244.27 4
Lo Low (pH 4.5-6) 2.96 5.34 -10.63 2 4 0 62 245.278 4

Activity (Go SEA)

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