UCSF

ZINC34672017

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 2.58 7.11 -16.88 1 8 0 84 412.49 6
Lo Low (pH 4.5-6) 2.58 7.42 -44.23 2 8 1 85 413.498 6

Activity (Go SEA)

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