UCSF

ZINC39379208

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 4.32 8.74 -52.25 0 5 -1 73 387.459 2
Mid Mid (pH 6-8) 4.32 7.87 -13.35 1 5 0 70 388.467 2
Mid Mid (pH 6-8) 4.32 8.76 -11.74 1 5 0 70 388.467 2

Activity (Go SEA)

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