UCSF

ZINC05763327

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 22 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) 2.91 8.66 -51.53 2 4 1 51 321.828 5
Mid Mid (pH 6-8) 2.91 6.48 -14.31 1 4 0 49 320.82 5

Activity (Go SEA)

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