UCSF

ZINC11820436

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 28 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) 2.70 -4.59 -55.54 3 7 1 99 413.608 11
Mid Mid (pH 6-8) 2.70 -4.33 -117.61 4 7 2 101 414.616 11

Activity (Go SEA)

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