UCSF

ZINC19359697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 3.22 8.8 -34.35 1 3 1 17 301.454 4
Hi High (pH 8-9.5) 3.22 7.16 -3.16 0 3 0 16 300.446 4

Activity (Go SEA)

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