UCSF

ZINC55568870

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 25 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) 3.41 8.19 -40.27 1 5 1 47 361.897 3
Hi High (pH 8-9.5) 3.41 8.04 -41 1 5 1 47 361.897 3

Activity (Go SEA)

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