UCSF

ZINC14011058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 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) 2.23 5.32 -103.22 0 10 -2 153 415.745 4
Lo Low (pH 4.5-6) 2.23 4.31 -44.79 1 10 -1 150 416.753 4

Activity (Go SEA)

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