UCSF

ZINC70613640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 2.45 5.67 -105.17 5 3 2 56 227.396 4
Hi High (pH 8-9.5) 2.45 3.77 -32.36 4 3 1 55 226.388 4

Activity (Go SEA)

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