UCSF

ZINC13216964

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 26 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) 2.54 6.01 -22.04 2 6 0 84 351.406 6
Lo Low (pH 4.5-6) 2.54 6.3 -48.36 3 6 1 85 352.414 6

Activity (Go SEA)

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