UCSF

ZINC04158168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 Yes

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) 5.78 1.75 -13.77 1 5 0 47 395.547 7
Mid Mid (pH 6-8) 5.78 1.93 -29.97 2 5 1 49 396.555 7

Activity (Go SEA)

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