UCSF

ZINC21822006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.23 3.46 -12.01 1 5 0 58 279.365 2
Lo Low (pH 4.5-6) 1.23 4.61 -66.35 2 5 1 59 280.373 2

Activity (Go SEA)

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