UCSF

ZINC36876582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.74 6.94 -38.02 3 3 1 45 260.336 2
Hi High (pH 8-9.5) 2.74 5.57 -6.4 2 3 0 41 259.328 2
Mid Mid (pH 6-8) 2.74 7.38 -110.62 4 3 2 47 261.344 2

Activity (Go SEA)

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