UCSF

ZINC00332365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.89 5.34 -12.17 2 4 0 75 318.328 4
Hi High (pH 8-9.5) 3.89 6.12 -44.39 1 4 -1 77 317.32 4

Activity (Go SEA)

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