UCSF

ZINC37990585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.12 5.3 -7.72 0 3 0 24 246.285 2
Lo Low (pH 4.5-6) 1.12 7.54 -44.42 1 3 1 25 247.293 2

Activity (Go SEA)

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