UCSF

ZINC38725204

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 23 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) -1.09 2.01 -12.75 0 7 0 66 318.377 3
Mid Mid (pH 6-8) -1.09 4.24 -56.94 1 7 1 67 319.385 3

Activity (Go SEA)

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