UCSF

ZINC12449027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 4.16 12.27 -13.08 1 4 0 49 399.519 4
Lo Low (pH 4.5-6) 4.16 12.4 -41.18 2 4 1 50 400.527 4

Activity (Go SEA)

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