UCSF

ZINC00314562

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 2.15 5.77 -12.91 0 6 0 58 299.33 4
Lo Low (pH 4.5-6) 2.15 6.19 -34.91 1 6 1 60 300.338 4

Activity (Go SEA)

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