UCSF

ZINC31164363

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 25 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) 4.87 10.63 -54.59 0 4 -1 66 347.475 6
Mid Mid (pH 6-8) 4.87 9.53 -9.75 1 4 0 64 348.483 6

Activity (Go SEA)

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