UCSF

ZINC40154668

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 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) 3.76 6.01 -17.01 3 6 0 77 412.44 5
Mid Mid (pH 6-8) 3.76 8.05 -49.81 4 6 1 78 413.448 5

Activity (Go SEA)

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