UCSF

ZINC27893513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 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) 3.39 8.96 -46.83 1 6 1 45 413.538 7
Mid Mid (pH 6-8) 3.39 6.58 -10.36 0 6 0 43 412.53 7

Activity (Go SEA)

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