UCSF

ZINC19369233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 30 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) 4.83 13.2 -47.77 2 4 1 46 406.594 7
Hi High (pH 8-9.5) 4.83 11.11 -13.53 1 4 0 45 405.586 7

Activity (Go SEA)

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