UCSF

ZINC06382436

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 4.11 10.46 -58.47 0 5 -1 70 412.893 7
Mid Mid (pH 6-8) 4.11 0.77 -11.94 1 5 0 66 413.901 7
Mid Mid (pH 6-8) 3.53 0.64 -21.21 0 5 0 63 413.901 7

Activity (Go SEA)

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