UCSF

ZINC25146818

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 No

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) 2.17 4.52 -63.82 1 10 -1 142 434.45 8
Lo Low (pH 4.5-6) 2.17 4.47 -22.65 2 10 0 140 435.458 8

Activity (Go SEA)

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