UCSF

ZINC42255293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.67 7.63 -53.83 0 3 -1 53 244.295 1
Lo Low (pH 4.5-6) 2.67 8 -51.39 1 3 0 54 245.303 1

Activity (Go SEA)

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