UCSF

ZINC44950126

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 19 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) 1.14 3.59 -34.06 2 4 1 37 269.409 7
Lo Low (pH 4.5-6) 1.14 5.91 -100.02 3 4 2 38 270.417 7

Activity (Go SEA)

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