UCSF

ZINC21506324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 18 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) 1.22 -0.03 -45.76 2 6 -1 100 286.72 3
Lo Low (pH 4.5-6) 1.22 0.52 -14.28 3 6 0 98 287.728 3

Activity (Go SEA)

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