UCSF

ZINC52249221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 14 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) 1.03 1.78 -46.28 2 4 -1 81 215.612 3
Hi High (pH 8-9.5) 1.03 2.55 -93 1 4 -2 83 214.604 3

Activity (Go SEA)

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