UCSF

ZINC34670587

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 3.32 7.75 -9.35 0 4 0 31 327.424 6
Lo Low (pH 4.5-6) 3.32 10.01 -44.23 1 4 1 32 328.432 6

Activity (Go SEA)

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