UCSF

ZINC40956352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 2.20 8.58 -57.02 1 3 1 26 231.319 4
Hi High (pH 8-9.5) 2.20 6.13 -11.83 0 3 0 25 230.311 4

Activity (Go SEA)

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