UCSF

ZINC42592327

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.03 8.56 -9.14 1 3 0 38 262.378 3
Mid Mid (pH 6-8) 3.75 8.46 -38.43 0 3 -1 35 261.37 3

Activity (Go SEA)

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