UCSF

ZINC37105860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 5.62 10.08 -47.84 2 2 1 26 414.161 5
Hi High (pH 8-9.5) 5.62 9.23 -4.82 1 2 0 21 413.153 5

Activity (Go SEA)

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