UCSF

ZINC34475010

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) -0.31 6.78 -110.67 4 6 0 102 319.336 4
Mid Mid (pH 6-8) -0.31 4.78 -66 5 6 1 99 320.344 4

Activity (Go SEA)

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