UCSF

ZINC16323225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 30 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) 8.48 16.48 -9.3 0 2 0 18 396.578 5
Lo Low (pH 4.5-6) 8.48 17.24 -23.9 1 2 1 19 397.586 5

Activity (Go SEA)

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