UCSF

ZINC06420677

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) 4.13 10.04 -43.34 1 5 -1 81 412.465 6
Mid Mid (pH 6-8) 4.13 10.11 -11.96 2 5 0 78 413.473 6
Mid Mid (pH 6-8) 3.54 10.78 -20.27 1 5 0 75 413.473 6

Activity (Go SEA)

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