UCSF

ZINC05595983

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 3.74 11.37 -57.39 0 7 -1 106 413.409 6
Mid Mid (pH 6-8) 4.18 1.18 -21.63 1 7 0 103 414.417 5

Activity (Go SEA)

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