UCSF

ZINC14252190

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 46 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) 7.86 19.23 -60.52 0 11 -1 132 621.718 14
Lo Low (pH 4.5-6) 7.86 19.32 -22.36 1 11 0 134 622.726 14

Activity (Go SEA)

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