UCSF

ZINC37075329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 5.29 11.54 -39.49 2 1 1 17 331.277 5
Hi High (pH 8-9.5) 5.29 10.74 -2.26 1 1 0 12 330.269 5

Activity (Go SEA)

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