UCSF

ZINC37870633

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) -0.82 -1.5 -35.59 5 4 1 74 170.236 1
Lo Low (pH 4.5-6) -0.82 -1.17 -113.88 6 4 2 75 171.244 1

Activity (Go SEA)

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