UCSF

ZINC34590376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 3.99 11.25 -44.57 3 5 1 60 414.957 7
Hi High (pH 8-9.5) 3.99 9.02 -11.03 2 5 0 59 413.949 7

Activity (Go SEA)

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