UCSF

ZINC33768642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 31 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) 4.76 13.66 -13.62 0 5 0 49 412.537 5
Mid Mid (pH 6-8) 4.76 13.97 -40.47 1 5 1 51 413.545 5

Activity (Go SEA)

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