UCSF

ZINC34994291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.97 7.7 -42.82 2 5 1 62 331.234 8
Hi High (pH 8-9.5) 2.97 6.96 -57.39 2 5 1 66 331.234 8

Activity (Go SEA)

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