UCSF

ZINC43419778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 1.26 7.27 -11.25 0 4 0 53 218.304 5
Lo Low (pH 4.5-6) 1.26 7.42 -35.86 1 4 1 54 219.312 5

Activity (Go SEA)

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