UCSF

ZINC06420040

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 No

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) 4.18 11.33 -44.6 0 5 -1 70 412.465 7
Mid Mid (pH 6-8) 4.18 0.65 -14.61 1 5 0 66 413.473 7
Mid Mid (pH 6-8) 3.60 0.57 -24.59 0 5 0 63 413.473 7

Activity (Go SEA)

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