UCSF

ZINC13213618

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 5.77 11.58 -16.34 0 2 0 30 331.802 3
Lo Low (pH 4.5-6) 5.77 11.84 -33.68 1 2 1 31 332.81 3

Activity (Go SEA)

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