UCSF

ZINC42165493

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 2.62 6.11 -35.78 2 4 1 40 288.415 4
Mid Mid (pH 6-8) 2.62 8.31 -92.54 3 4 2 41 289.423 4

Activity (Go SEA)

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