UCSF

ZINC34353098

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 1.70 3.92 -38.73 3 3 1 50 218.276 5
Hi High (pH 8-9.5) 1.70 2.71 -5.99 2 3 0 45 217.268 5

Activity (Go SEA)

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