UCSF

ZINC36190093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 3.19 9.78 -78.87 3 3 2 24 295.446 5
Mid Mid (pH 6-8) 3.19 7.41 -41.01 2 3 1 23 294.438 5

Activity (Go SEA)

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