UCSF

ZINC40157110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 24 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) 1.40 5.55 -16.07 0 7 0 86 350.396 8
Lo Low (pH 4.5-6) 1.40 6.19 -43.05 1 7 1 87 351.404 8

Activity (Go SEA)

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