UCSF

ZINC53298372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 20 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) 2.49 6.02 -10.7 1 4 0 74 263.252 1
Hi High (pH 8-9.5) 2.49 6.8 -42.26 0 4 -1 77 262.244 1

Activity (Go SEA)

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