UCSF

ZINC53278329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 18 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) 2.44 6.03 -6.31 1 3 0 47 276.304 6
Mid Mid (pH 6-8) 2.44 6.53 -46.85 0 3 -1 49 275.296 6

Activity (Go SEA)

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