UCSF

ZINC01261223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 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) 2.10 3.61 -45.78 0 9 -1 112 425.417 7
Mid Mid (pH 6-8) 1.64 6.07 -13.63 1 9 0 109 426.425 7

Activity (Go SEA)

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