UCSF

ZINC53659568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 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) 0.83 4.37 -111.85 3 4 2 55 264.435 7
Mid Mid (pH 6-8) 0.83 2.14 -49.37 2 4 1 54 263.427 7

Activity (Go SEA)

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